Target Information

Target General Information

Target ID

T47094 (Former ID: TTDS00194)

Target Name

Substance-P receptor (TACR1)

Synonyms

Tachykinin receptor 1; Tachykinin neurokinin 1 receptor; Tachykinin 1 receptor; TACR1; Substance P receptor; SPR; Neurokinin 1 receptor; NK-1R; NK-1 receptor

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Gene Name

TACR1

Target Type

Successful target

[1]

Disease

[+] 2 Target-related Diseases

Depression [ICD-11: 6A70-6A7Z]

Nausea/vomiting [ICD-11: MD90]

Function

This is a receptor for the tachykinin neuropeptide substance P. It is probably associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of affinity of this receptor to tachykinins is: substance P > substance K > neuromedin-K.

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BioChemical Class

GPCR rhodopsin

UniProt ID

NK1R_HUMAN

Sequence

MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS

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3D Structure

Click to Show 3D Structure of This Target

PDB

HIT2.0 ID

T88A0X

Drugs and Modes of Action

Top

Approved Drug(s)

[+] 4 Approved Drugs

Aprepitant

Drug Info

Approved

Depression

[2], [3]

Palonosetron + fosnetupitant

Drug Info

Approved

Chemotherapy-induced nausea

[4]

Rolapitant

Drug Info

Approved

Chemotherapy-induced nausea

[5], [6]

Selegiline

Drug Info

Approved

Major depressive disorder

[7], [8]

Clinical Trial Drug(s)

[+] 19 Clinical Trial Drugs

Elinzanetant

Drug Info

Phase 3

Hot flushes

[9]

LY-686017

Drug Info

Phase 3

Atopic dermatitis

[10]

Netupitant

Drug Info

Phase 3

Chemotherapy-induced nausea

[11], [12]

Serlopitant

Drug Info

Phase 3

Prurigo nodularis

[10]

CP-122721

Drug Info

Phase 2

Major depressive disorder

[13]

DAPITANT

Drug Info

Phase 2

Pain

[14]

FR139317

Drug Info

Phase 2

Hypertension

[15], [16]

GW 597599

Drug Info

Phase 2

Mood disorder

[17]

LANEPITANT

Drug Info

Phase 2

Pain

[18], [19]

LY-2590443

Drug Info

Phase 2

Migraine

[20]

NKP 608

Drug Info

Phase 2

Mood disorder

[21]

Orvepitant

Drug Info

Phase 2

Anxiety disorder

[22]

SCH-900978

Drug Info

Phase 2

Cough

[23]

SSR240600

Drug Info

Phase 2

Urinary incontinence

[24]

TKA-731

Drug Info

Phase 2

Pain

[25]

VOFOPITANT HYDROCHLORIDE

Drug Info

Phase 2

Vomiting

[26], [27]

CJ-12255

Drug Info

Phase 1

Eczema

[28]

Figopitant

Drug Info

Phase 1

Diabetic complication

[29]

GSK1144814

Drug Info

Phase 1

Schizophrenia

[30]

Discontinued Drug(s)

[+] 24 Discontinued Drugs

Casopitant

Drug Info

Withdrawn from market

Chemotherapy-induced nausea

[31], [32]

BL-1832

Drug Info

Discontinued in Phase 3

Pain

[33]

L-759274

Drug Info

Discontinued in Phase 3

Depression

[32]

CGP-49823

Drug Info

Discontinued in Phase 2

Pain

[34]

CS-003

Drug Info

Discontinued in Phase 2

Chronic obstructive pulmonary disease

[35]

DNK-333

Drug Info

Discontinued in Phase 2

Irritable bowel syndrome

[35]

Ezlopitant

Drug Info

Discontinued in Phase 2

Irritable bowel syndrome

[36], [37]

FK-224

Drug Info

Discontinued in Phase 2

Asthma

[38], [39]

FK-888

Drug Info

Discontinued in Phase 2

Migraine

[40], [41]

GSK 679769

Drug Info

Discontinued in Phase 2

Major depressive disorder

[37]

Nolpitantium besilate

Drug Info

Discontinued in Phase 2

Asthma

[42], [43]

TA-5538

Drug Info

Discontinued in Phase 2

Overactive bladder

[44]

TAK-637

Drug Info

Discontinued in Phase 2

Depression

[32]

AVE-5883

Drug Info

Discontinued in Phase 1/2

Asthma

[45]

SDZ-NKT-343

Drug Info

Discontinued in Phase 1

Pain

[46]

SLV-323

Drug Info

Discontinued in Phase 1

Gastric motility disorder

[37]

FK-355

Drug Info

Terminated

Asthma

[47]

FR-113680

Drug Info

Terminated

Asthma

[48]

GR-82334

Drug Info

Terminated

Vomiting

[49]

L-741671

Drug Info

Terminated

Vomiting

[50]

MEN-11149

Drug Info

Terminated

Asthma

[51]

MEN-11467

Drug Info

Terminated

Respiratory tract inflammation

[52]

RP-67580

Drug Info

Terminated

Pain

[53], [54]

WIN-64821

Drug Info

Terminated

Asthma

[55]

Mode of Action

[+] 4 Modes of Action

Antagonist

[+] 52 Antagonist drugs

Aprepitant

Drug Info

[1]

Palonosetron + fosnetupitant

Drug Info

[4]

Rolapitant

Drug Info

[56]

Selegiline

Drug Info

[57]

Elinzanetant

Drug Info

[58]

LY-686017

Drug Info

[59]

Netupitant

Drug Info

[56]

Serlopitant

Drug Info

[10]

CP-122721

Drug Info

[60]

DAPITANT

Drug Info

[2], [61]

FR139317

Drug Info

[57]

GW 597599

Drug Info

[62]

LANEPITANT

Drug Info

[2], [63]

LY-2590443

Drug Info

[64]

NKP 608

Drug Info

[21]

Orvepitant

Drug Info

[57]

SCH-900978

Drug Info

[65]

SSR240600

Drug Info

[66]

TKA-731

Drug Info

[25]

VOFOPITANT HYDROCHLORIDE

Drug Info

[2], [67]

CJ-12255

Drug Info

[2], [68]

Figopitant

Drug Info

[69]

Casopitant

Drug Info

[32]

BL-1832

Drug Info

[71]

L-759274

Drug Info

[32]

CGP-49823

Drug Info

[72]

CS-003

Drug Info

[35]

Ezlopitant

Drug Info

[37], [74]

FK-888

Drug Info

[78]

GSK 679769

Drug Info

[37]

Nolpitantium besilate

Drug Info

[79]

TA-5538

Drug Info

[80]

TAK-637

Drug Info

[32]

SDZ-NKT-343

Drug Info

[82]

CI-1021

Drug Info

[83]

FK-355

Drug Info

[76]

GR-82334

Drug Info

[86]

MEN-11149

Drug Info

[90]

MEN-11467

Drug Info

[91]

RP-67580

Drug Info

[92]

WIN-64821

Drug Info

[93]

befetupitant

Drug Info

[99]

CP-100263

Drug Info

[37]

CP-99,994

Drug Info

[83]

L-703,606

Drug Info

[100]

R116031

Drug Info

[106]

S-41744

Drug Info

[64]

SCH 206272

Drug Info

[107]

spantide II

Drug Info

[110]

T2328

Drug Info

[112]

[125I]L703,606

Drug Info

[118]

[18F]SPA-RQ

Drug Info

[64]

Modulator

[+] 10 Modulator drugs

GSK1144814

Drug Info

[70]

DNK-333

Drug Info

[73]

FK-224

Drug Info

[75], [76], [77]

AVE-5883

Drug Info

[81]

SLV-323

Drug Info

[37]

EU-C-001

Drug Info

[64]

WIN-64745

Drug Info

[114]

WIN-66306

Drug Info

[115]

WIN-68577

Drug Info

[115]

ZD-6021

Drug Info

[116], [116], [117]

Inhibitor

[+] 47 Inhibitor drugs

CP-96345

Drug Info

[84]

FR-113680

Drug Info

[85]

L-732138

Drug Info

[87]

L-733060

Drug Info

[88]

L-741671

Drug Info

[89]

(D)-Phe-(D)-Phe-NH2

Drug Info

[94]

(D)-Phe-(L)-Phe-NH2

Drug Info

[94]

(L)-Phe-(D)-Phe-NH2

Drug Info

[94]

2-Phenyl-3-(1-phenyl-ethoxy)-piperidine

Drug Info

[88]

3,6-Diphenyl-1-oxa-7-aza-spiro[4.5]decane

Drug Info

[95]

3-Benzyloxy-2-phenyl-piperidine

Drug Info

[88]

4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one

Drug Info

[96]

7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYRIDINE-6-CARBOXYLIC ACID (3,5-BIS-TRIFLUOROMETHYL-BENZYL)-METHYL-AMIDE (STRUCTURAL MIX)

Drug Info

[97]

7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYRIDINE-6-CARBOXYLIC ACID (S)-[(R)-1-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-ETHYL]-METHYL-AMIDE (ENANTIOMERIC MIX)

Drug Info

[97]

7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYRIDINE-6-CARBOXYLIC ACID (S)-[(S)-1-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-ETHYL]-METHYL-AMIDE (ENANTIOMERIC MIX)

Drug Info

[97]

Ac-Phe-Phe-NH2

Drug Info

[94]

Arg-Pro-Lys-Pro-Ala-Gln-Phe-Phe-Gly-Leu-Met-NH2

Drug Info

[98]

Arg-Pro-Lys-Pro-Ala-Ser-Phe-Phe-Gly-Leu-Met-NH2

Drug Info

[98]

Arg-Pro-Lys-Pro-Gln-Ser-Phe-Phe-Gly-Leu-Met-NH2

Drug Info

[98]

ENDOMORPHIN 2

Drug Info

[94]

H-Ala-Pro-Phe-Phe-NH2

Drug Info

[94]

H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-OH

Drug Info

[94]

H-Leu-Phe-NH2

Drug Info

[94]

H-Phe-NH2

Drug Info

[94]

H-Phe-Phe-NH2

Drug Info

[94]

H-Pro-Phe-Phe-NH2

Drug Info

[94]

H-Tyr(OMe)-Phe(2-Me)-NH2

Drug Info

[94]

H-Tyr-Ala-Phe-Phe-NH2

Drug Info

[94]

H-Tyr-D-Ala-Gly Phe-Pro-Leu-Trp-O-3,5-Bzl(CF3)2

Drug Info

[101]

H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-3,5-Bzl(CF3)2

Drug Info

[101]

H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-Bzl

Drug Info

[101]

H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NMe-3,5-Bzl(CF3)2

Drug Info

[101]

H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NMe-Bzl

Drug Info

[101]

H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-O-Bzl

Drug Info

[101]

H-Tyr-Pro-Ala-Phe-NH2

Drug Info

[94]

H-Tyr-Pro-Phe-Ala-NH2

Drug Info

[94]

H-Tyr-Pro-Phe-Phe-OH

Drug Info

[94]

L-708568

Drug Info

[102]

L-736281

Drug Info

[89]

MDL-28163

Drug Info

[103]

Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2

Drug Info

[98]

R-226161

Drug Info

[105]

SP-SAP

Drug Info

[64]

SPANTIDE

Drug Info

[109]

Substance P

Drug Info

[111]

Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-NH-Bzl

Drug Info

[113]

[Sar9,Met(O2)11]-SP

Drug Info

[119]

Agonist

[+] 6 Agonist drugs

eledoisin

Drug Info

[100]

Homspera

Drug Info

[64]

kassinin

Drug Info

[100]

neurokinin A

Drug Info

[104]

physalaemin

Drug Info

[100]

Septide

Drug Info

[108]

Cell-based Target Expression Variations

Top

Cell-based Target Expression Variations

Cell-based Target Expression Variations Info

Drug Binding Sites of Target

Top

Ligand Name: Cholesterol

Ligand Info

Structure Description

Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex

PDB:7P00

Method

Electron microscopy

Resolution

2.71 Å

Mutation

Yes

[120]

PDB Sequence

PNQFVQPAWQ

³¹

IVLWAAAYTV

⁴¹

IVVTSVVGNV

⁵¹

VVMWIILAHK

⁶¹

RMRTVTNYFL

⁷¹

VNLAFAEASM

⁸¹

AAFNTVVNFT

⁹¹

YAVHNEWYYG

¹⁰¹

LFYCKFHNFF

¹¹¹

PIAAVFASIY

¹²¹

SMTAVAFDRY

¹³¹

MAIIHPLQPR

¹⁴¹

LSATATKVVI

¹⁵¹

CVIWVLALLL

¹⁶¹

AFPQGYYSTT

¹⁷¹

ETMPSRVVCM

¹⁸¹

IEWPEHPNKI

¹⁹¹

YEKVYHICVT

²⁰¹

VLIYFLPLLV

²¹¹

IGYAYTVVGI

²²¹

TLWAYHEQVS

²⁴¹

AKRKVVKMMI

²⁵¹

VVVCTFAICW

²⁶¹

LPFHIFFLLP

²⁷¹

YINPDLYLKK

²⁸¹

FIQQVYLAIM

²⁹¹

WLAMSSTMYN

³⁰¹

PIIYCCLNDR

³¹¹

FRLGFKHA

Residue

Distance (Å)

LEU58

3.643

ARG64

3.280

TYR69

3.403

VAL72

3.875

ASN73

3.582

PHE76

3.682

Residue

Distance (Å)

PHE111

3.929

LYS148

4.003

ILE151

3.815

TRP155

3.575

LEU159

4.011

Click to View More Binding Site Information of This Target with Different Ligands

Different Human System Profiles of Target	Top
Human Similarity Proteins of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target. A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs (Brief Bioinform, 21: 649-662, 2020). Human Pathway Affiliation of target is determined by the life-essential pathways provided on KEGG database. The target-affiliated pathways were defined based on the following two criteria (a) the pathways of the studied target should be life-essential for both healthy individuals and patients, and (b) the studied target should occupy an upstream position in the pathways and therefore had the ability to regulate biological function. Targets involved in a fewer pathways have greater likelihood to be successfully developed, while those associated with more human pathways increase the chance of undesirable interferences with other human processes (Pharmacol Rev, 58: 259-279, 2006). Biological Network Descriptors of target is determined based on a human protein-protein interactions (PPI) network consisting of 9,309 proteins and 52,713 PPIs, which were with a high confidence score of ≥ 0.95 collected from STRING database. The network properties of targets based on protein-protein interactions (PPIs) have been widely adopted for the assessment of target’s druggability. Proteins with high node degree tend to have a high impact on network function through multiple interactions, while proteins with high betweenness centrality are regarded to be central for communication in interaction networks and regulate the flow of signaling information (Front Pharmacol, 9, 1245, 2018; Curr Opin Struct Biol. 44:134-142, 2017). Human Similarity Proteins Human Pathway Affiliation Biological Network Descriptors

Different Human System Profiles of Target

Top

Human Similarity Proteins of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.

A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs (Brief Bioinform, 21: 649-662, 2020).

Human Pathway Affiliation of target is determined by the life-essential pathways provided on KEGG database. The target-affiliated pathways were defined based on the following two criteria (a) the pathways of the studied target should be life-essential for both healthy individuals and patients, and (b) the studied target should occupy an upstream position in the pathways and therefore had the ability to regulate biological function.

Targets involved in a fewer pathways have greater likelihood to be successfully developed, while those associated with more human pathways increase the chance of undesirable interferences with other human processes (Pharmacol Rev, 58: 259-279, 2006).

Biological Network Descriptors of target is determined based on a human protein-protein interactions (PPI) network consisting of 9,309 proteins and 52,713 PPIs, which were with a high confidence score of ≥ 0.95 collected from STRING database.

The network properties of targets based on protein-protein interactions (PPIs) have been widely adopted for the assessment of target’s druggability. Proteins with high node degree tend to have a high impact on network function through multiple interactions, while proteins with high betweenness centrality are regarded to be central for communication in interaction networks and regulate the flow of signaling information (Front Pharmacol, 9, 1245, 2018; Curr Opin Struct Biol. 44:134-142, 2017).

Human Similarity Proteins

Human Pathway Affiliation

Biological Network Descriptors

Protein Name	Pfam ID	Percentage of Identity (%)	E value
Olfactory receptor 5K1 (OR5K1)	PF13853	27.344 (35/128)	1.38E-07
Olfactory receptor 5K2 (OR5K2)	PF13853	27.481 (36/131)	2.65E-07
Olfactory receptor 11H2 (OR11H2)	PF13853	22.590 (75/332)	2.84E-07
Olfactory receptor 10Q1 (OR10Q1)	PF13853	26.772 (34/127)	2.94E-07
Olfactory receptor 5M11 (OR5M11)	PF13853	25.694 (37/144)	2.66E-06
Olfactory receptor 2A14 (OR2A14)	PF13853	26.174 (39/149)	3.02E-06
Olfactory receptor 1J1 (OR1J1)	PF13853	28.467 (39/137)	3.10E-06
Olfactory receptor 5M3 (OR5M3)	PF13853	29.861 (43/144)	3.39E-06
Olfactory receptor 14J1 (OR14J1)	PF13853	23.016 (29/126)	3.57E-06
Olfactory receptor 8A1 (OR8A1)	PF13853	32.000 (32/100)	5.47E-06
Olfactory receptor 5I1 (OR5I1)	PF13853	29.565 (34/115)	9.39E-06
Olfactory receptor 11H1 (OR11H1)	PF13853	22.601 (73/323)	1.00E-05
Olfactory receptor 6C70 (OR6C70)	PF13853	23.000 (69/300)	1.67E-05
Olfactory receptor 6C75 (OR6C75)	PF13853	27.273 (39/143)	2.22E-05
Putative olfactory receptor 14L1 (OR14L1P)	PF13853	23.214 (26/112)	2.50E-05
Olfactory receptor 4D1 (OR4D1)	PF13853	22.483 (67/298)	2.66E-05
Olfactory receptor 13C4 (OR13C4)	PF13853	25.157 (80/318)	2.75E-05
Olfactory receptor 4K1 (OR4K1)	PF13853	28.378 (42/148)	3.02E-05
Olfactory receptor 8B3 (OR8B3)	PF13853	29.268 (36/123)	3.38E-05
Olfactory receptor 6C3 (OR6C3)	PF13853	23.344 (74/317)	4.39E-05
Olfactory receptor 5B17 (OR5B17)	PF13853	27.083 (39/144)	4.55E-05
Olfactory receptor 11H12 (OR11H12)	PF13853	22.840 (74/324)	4.80E-05
Olfactory receptor 14A16 (OR14A16)	PF13853	27.273 (30/110)	4.90E-05
Olfactory receptor 2A2 (OR2A2)	PF13853	26.316 (30/114)	5.08E-05
Olfactory receptor 1D2 (OR1D2)	PF13853	28.387 (44/155)	5.22E-05
Olfactory receptor 2A5 (OR2A5)	PF13853	25.926 (28/108)	5.89E-05
Olfactory receptor 6C68 (OR6C68)	PF13853	25.000 (37/148)	6.40E-05
Olfactory receptor 8D4 (OR8D4)	PF13853	28.906 (37/128)	6.68E-05
Olfactory receptor 2T34 (OR2T34)	PF13853	18.605 (40/215)	6.82E-05
Olfactory receptor 11H4 (OR11H4)	PF13853	26.812 (37/138)	7.85E-05
Olfactory receptor 5K4 (OR5K4)	PF13853	25.893 (29/112)	7.93E-05
Olfactory receptor 2T3 (OR2T3)	PF13853	18.605 (40/215)	8.15E-05
Olfactory receptor 5AL1 (OR5AL1)	PF13853	30.357 (34/112)	9.94E-05
Olfactory receptor 5H14 (OR5H14)	PF13853	27.679 (31/112)	1.04E-04
Olfactory receptor 11H7 (OR11H7)	PF13853	21.212 (70/330)	1.14E-04
Olfactory receptor 6C2 (OR6C2)	PF13853	28.082 (41/146)	1.69E-04
Olfactory receptor 6S1 (OR6S1)	PF13853	25.362 (35/138)	1.72E-04
Olfactory receptor 14I1 (OR14I1)	PF13853	28.099 (34/121)	1.79E-04
Olfactory receptor 6C1 (OR6C1)	PF13853	23.718 (37/156)	1.85E-04
Olfactory receptor 5H15 (OR5H15)	PF13853	30.088 (34/113)	2.02E-04
Olfactory receptor 1J2 (OR1J2)	PF13853	26.923 (35/130)	2.38E-04
Olfactory receptor 4E1 (OR4E1)	PF13853	24.348 (28/115)	2.48E-04
Olfactory receptor 8B2 (OR8B2)	PF13853	29.268 (36/123)	3.05E-04
Olfactory receptor 9G1 (OR9G1)	PF13853	26.923 (35/130)	3.14E-04
Olfactory receptor 5M1 (OR5M1)	PF13853	24.138 (35/145)	3.23E-04
Olfactory receptor 4K17 (OR4K17)	PF13853	27.407 (37/135)	3.53E-04
Olfactory receptor 5M9 (OR5M9)	PF13853	26.357 (34/129)	3.71E-04
Olfactory receptor 7A5 (OR7A5)	PF13853	24.000 (30/125)	3.90E-04
Olfactory receptor 1D4 (OR1D4)	PF13853	29.252 (43/147)	3.92E-04
Olfactory receptor 5H1 (OR5H1)	PF13853	27.679 (31/112)	3.98E-04
Olfactory receptor 8D2 (OR8D2)	PF13853	29.365 (37/126)	4.40E-04
Olfactory receptor 7G2 (OR7G2)	PF13853	25.000 (31/124)	4.93E-04
Olfactory receptor 11H6 (OR11H6)	PF13853	26.496 (31/117)	5.76E-04
Olfactory receptor 6C4 (OR6C4)	PF13853	23.256 (30/129)	5.92E-04
Olfactory receptor 5A1 (OR5A1)	PF13853	26.154 (34/130)	6.07E-04
Putative olfactory receptor 1F12P (OR1F12P)	PF13853	25.806 (40/155)	6.11E-04
Olfactory receptor 2K2 (OR2K2)	PF13853	25.217 (29/115)	7.33E-04
Olfactory receptor 1N1 (OR1N1)	PF13853	24.832 (37/149)	7.37E-04
Olfactory receptor 6B1 (OR6B1)	PF13853	26.446 (32/121)	7.50E-04
Olfactory receptor 10W1 (OR10W1)	PF13853	31.250 (35/112)	8.81E-04
Olfactory receptor 1G1 (OR1G1)	PF13853	24.528 (26/106)	1.00E-03
Olfactory receptor 8B8 (OR8B8)	PF13853	30.769 (40/130)	1.00E-03
Olfactory receptor 2AJ1 (OR2AJ1)	PF13853	23.264 (67/288)	1.00E-03
Olfactory receptor 4K3 (OR4K3)	PF13853	23.308 (31/133)	1.00E-03
Olfactory receptor 5B12 (OR5B12)	PF13853	26.897 (39/145)	1.00E-03
Olfactory receptor 8B12 (OR8B12)	PF13853	26.282 (41/156)	1.00E-03
Olfactory receptor 4K2 (OR4K2)	PF13853	21.118 (34/161)	1.00E-03
Olfactory receptor 1L1 (OR1L1)	PF13853	25.954 (34/131)	1.00E-03
Olfactory receptor 1L4 (OR1L4)	PF13853	29.412 (35/119)	1.00E-03
Olfactory receptor 2M5 (OR2M5)	PF13853	23.404 (55/235)	1.00E-03
Olfactory receptor 6V1 (OR6V1)	PF13853	23.077 (30/130)	1.00E-03
Olfactory receptor 9K2 (OR9K2)	PF13853	23.913 (33/138)	1.00E-03
Olfactory receptor 5M10 (OR5M10)	PF13853	25.862 (30/116)	2.00E-03
Olfactory receptor 2A12 (OR2A12)	PF13853	25.000 (30/120)	2.00E-03
Olfactory receptor 5M8 (OR5M8)	PF13853	28.030 (37/132)	2.00E-03
Olfactory receptor 10A3 (OR10A3)	PF13853	25.893 (29/112)	2.00E-03
Olfactory receptor 5D14 (OR5D14)	PF13853	27.193 (31/114)	2.00E-03
Olfactory receptor 1D5 (OR1D5)	PF13853	28.571 (42/147)	2.00E-03
Olfactory receptor 5B2 (OR5B2)	PF13853	25.000 (34/136)	2.00E-03
Olfactory receptor 51F1 (OR51F1)	PF13853	25.472 (27/106)	2.00E-03
Olfactory receptor 5AR1 (OR5AR1)	PF13853	24.427 (32/131)	2.00E-03
Olfactory receptor 2T2 (OR2T2)	PF13853	21.525 (48/223)	2.00E-03
Olfactory receptor 14A2 (OR14A2)	PF13853	24.161 (36/149)	2.00E-03
Olfactory receptor 5B21 (OR5B21)	PF13853	26.812 (37/138)	2.00E-03
Putative olfactory receptor 10J6 (OR10J6P)	PF13853	23.171 (38/164)	2.00E-03
Olfactory receptor 5AS1 (OR5AS1)	PF13853	25.150 (42/167)	2.00E-03
Olfactory receptor 4A15 (OR4A15)	PF13853	23.704 (32/135)	2.00E-03
Olfactory receptor 6C74 (OR6C74)	PF13853	23.077 (33/143)	3.00E-03
Olfactory receptor 3A1 (OR3A1)	PF13853	25.000 (32/128)	3.00E-03
Olfactory receptor 9G4 (OR9G4)	PF13853	23.853 (26/109)	3.00E-03
Olfactory receptor 5K3 (OR5K3)	PF13853	24.779 (28/113)	3.00E-03
Olfactory receptor 7A10 (OR7A10)	PF13853	20.755 (44/212)	3.00E-03
Olfactory receptor 1L6 (OR1L6)	PF13853	29.412 (35/119)	4.00E-03
Olfactory receptor 8I2 (OR8I2)	PF13853	26.087 (30/115)	4.00E-03
Olfactory receptor 4C13 (OR4C13)	PF13853	25.424 (30/118)	4.00E-03
Olfactory receptor 7D4 (OR7D4)	PF13853	24.060 (32/133)	4.00E-03
Olfactory receptor 7C2 (OR7C2)	PF13853	26.056 (37/142)	5.00E-03
Olfactory receptor 7A17 (OR7A17)	PF13853	24.260 (41/169)	5.00E-03
Olfactory receptor 4S1 (OR4S1)	PF13853	30.769 (32/104)	5.00E-03
Olfactory receptor 6N1 (OR6N1)	PF13853	24.468 (23/94)	5.00E-03
Click to Show/Hide the Information of Human Similarity Proteins

KEGG Pathway	Pathway ID	Affiliated Target
Calcium signaling pathway	hsa04020	Affiliated Target
Class: Environmental Information Processing => Signal transduction	Pathway Hierarchy
Neuroactive ligand-receptor interaction	hsa04080	Affiliated Target
Class: Environmental Information Processing => Signaling molecules and interaction	Pathway Hierarchy

Degree	2	Degree centrality	2.15E-04	Betweenness centrality	2.02E-04
Closeness centrality	1.66E-01	Radiality	1.25E+01	Clustering coefficient	0.00E+00
Neighborhood connectivity	2.50E+00	Topological coefficient	5.00E-01	Eccentricity	13
Download	Click to Download the Full PPI Network of This Target

Chemical Structure based Activity Landscape of Target

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Drug Property Profile of Target

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(1) Molecular Weight (mw) based Drug Clustering

(2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering

(3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering

(4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering

(5) Rotatable Bond Count (rotbonds) based Drug Clustering

(6) Topological Polar Surface Area (polararea) based Drug Clustering

"RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five

Co-Targets

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Co-Targets

Co-Targets Info

Target Poor or Non Binders

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Target Poor or Non Binders

Target Poor or Non Binders Info

Target Profiles in Patients

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Target Expression
Profile (TEP)

Target Expression Profile Info

Target Affiliated Biological Pathways

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KEGG Pathway

[+] 3 KEGG Pathways

Calcium signaling pathway

Neuroactive ligand-receptor interaction

Measles

Panther Pathway

[+] 1 Panther Pathways

CCKR signaling map ST

Reactome

[+] 1 Reactome Pathways

G alpha (q) signalling events

WikiPathways

[+] 6 WikiPathways

SIDS Susceptibility Pathways

Gastrin-CREB signalling pathway via PKC and MAPK

Spinal Cord Injury

Peptide GPCRs

GPCR ligand binding

GPCR downstream signaling

Target-Related Models and Studies

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Target Validation

Target Validation Info

References

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DOI: 10.1021/jo00074a031

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REF 119

cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain... J Med Chem. 2008 Nov 27;51(22):7094-8.

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Structures of neurokinin 1 receptor in complex with G(q) and G(s) proteins reveal substance P binding mode and unique activation features. Sci Adv. 2021 Dec 10;7(50):eabk2872.

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