Target Information
| Target General Information | Top | |||||
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| Target ID |
T66505
(Former ID: TTDNS00536)
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| Target Name |
Smoothened homolog (SMO)
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| Synonyms |
Smo-D473H; SMOH; Protein Gx
Click to Show/Hide
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| Gene Name |
SMO
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| Target Type |
Successful target
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[1] | ||||
| Disease | [+] 3 Target-related Diseases | + | ||||
| 1 | Basal cell carcinoma [ICD-11: 2C32] | |||||
| 2 | Chronic myelomonocytic leukaemia [ICD-11: 2A40] | |||||
| 3 | Solid tumour/cancer [ICD-11: 2A00-2F9Z] | |||||
| Function |
Binding of sonic hedgehog (SHH) to its receptor patched is thought to prevent normal inhibition by patched of smoothened (SMO). Required for the accumulation of KIF7, GLI2 and GLI3 in the cilia. Interacts with DLG5 at the ciliary base to induce the accumulation of KIF7 and GLI2 at the ciliary tip for GLI2 activation. G protein-coupled receptor that probably associates with the patched protein (PTCH) to transduce the hedgehog's proteins signal.
Click to Show/Hide
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| BioChemical Class |
GPCR frizzled
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| UniProt ID | ||||||
| Sequence |
MAAARPARGPELPLLGLLLLLLLGDPGRGAASSGNATGPGPRSAGGSARRSAAVTGPPPP
LSHCGRAAPCEPLRYNVCLGSVLPYGATSTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWA VIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDRFPEGCTN EVQNIKFNSSGQCEVPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAV TGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGT MRLGEPTSNETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYF HLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLI RGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEW ERSFRDYVLCQANVTIGLPTKQPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKA TLLIWRRTWCRLTGQSDDEPKRIKKSKMIAKAFSKRHELLQNPGQELSFSMHTVSHDGPV AGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDISVTPVATPVPPEEQANLWLVEAE ISPELQKRLGRKKKRRKRKKEVCPLAPPPELHPPAPAPSTIPRLPQLPRQKCLVAAGAWG AGDSCRQGAWTLVSNPFCPEPSPPQDPFLPSAPAPVAWAHGRRQGLGPIHSRTNLMDTEL MDADSDF Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| HIT2.0 ID | T84AR4 | |||||
| Drugs and Modes of Action | Top | |||||
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| Approved Drug(s) | [+] 2 Approved Drugs | + | ||||
| 1 | PF-04449913 | Drug Info | Approved | Chronic myelomonocytic leukaemia | [2] | |
| 2 | Vismodegib | Drug Info | Approved | Basal cell carcinoma | [1], [3] | |
| Clinical Trial Drug(s) | [+] 5 Clinical Trial Drugs | + | ||||
| 1 | LDE225 | Drug Info | Phase 2 | Skin cancer | [4], [5] | |
| 2 | LY2940680 | Drug Info | Phase 1/2 | Solid tumour/cancer | [6] | |
| 3 | BMS-833923 | Drug Info | Phase 1b | Solid tumour/cancer | [7], [8] | |
| 4 | LEQ-506 | Drug Info | Phase 1 | Solid tumour/cancer | [9] | |
| 5 | TAK-441 | Drug Info | Phase 1 | Solid tumour/cancer | [10], [11] | |
| Mode of Action | [+] 3 Modes of Action | + | ||||
| Modulator | [+] 5 Modulator drugs | + | ||||
| 1 | PF-04449913 | Drug Info | [12] | |||
| 2 | Vismodegib | Drug Info | [1] | |||
| 3 | LDE225 | Drug Info | [13] | |||
| 4 | LY2940680 | Drug Info | [12] | |||
| 5 | TAK-441 | Drug Info | [16] | |||
| Inhibitor | [+] 77 Inhibitor drugs | + | ||||
| 1 | BMS-833923 | Drug Info | [8] | |||
| 2 | LEQ-506 | Drug Info | [14], [15] | |||
| 3 | Bicyclic hexapeptide derivative 1 | Drug Info | [17] | |||
| 4 | Bicyclic hexapeptide derivative 2 | Drug Info | [17] | |||
| 5 | Cyclic sulfonamide derivative 1 | Drug Info | [17] | |||
| 6 | Cyclic sulfonamide derivative 2 | Drug Info | [17] | |||
| 7 | Cyclic sulfonamide derivative 3 | Drug Info | [17] | |||
| 8 | Cyclic sulfonamide derivative 4 | Drug Info | [17] | |||
| 9 | Imidazo bicyclic iminium derivative 3 | Drug Info | [17] | |||
| 10 | Imidazo bicyclic iminium derivative 4 | Drug Info | [17] | |||
| 11 | Imidazo bicyclic iminium derivative 5 | Drug Info | [17] | |||
| 12 | Imidazo bicyclic iminium derivative 6 | Drug Info | [17] | |||
| 13 | Imidazo bicyclic iminium derivative 7 | Drug Info | [17] | |||
| 14 | Imidazo bicyclic iminium derivative 8 | Drug Info | [17] | |||
| 15 | Imidazo bicyclic iminium derivative 9 | Drug Info | [17] | |||
| 16 | Isoflavone derivative 1 | Drug Info | [18] | |||
| 17 | Isoflavone derivative 2 | Drug Info | [18] | |||
| 18 | Isoflavone derivative 3 | Drug Info | [18] | |||
| 19 | Isoflavone derivative 4 | Drug Info | [18] | |||
| 20 | Isoflavone derivative 5 | Drug Info | [18] | |||
| 21 | Isoflavone derivative 6 | Drug Info | [18] | |||
| 22 | Isoflavone derivative 7 | Drug Info | [18] | |||
| 23 | Isoflavone derivative 8 | Drug Info | [18] | |||
| 24 | Isoflavone derivative 9 | Drug Info | [18] | |||
| 25 | PMID25726713-Compound-10 | Drug Info | [17] | |||
| 26 | PMID25726713-Compound-11 | Drug Info | [17] | |||
| 27 | PMID25726713-Compound-12 | Drug Info | [17] | |||
| 28 | PMID25726713-Compound-13 | Drug Info | [17] | |||
| 29 | PMID25726713-Compound-14 | Drug Info | [17] | |||
| 30 | PMID25726713-Compound-15 | Drug Info | [17] | |||
| 31 | PMID25726713-Compound-16 | Drug Info | [17] | |||
| 32 | PMID25726713-Compound-19 | Drug Info | [17] | |||
| 33 | PMID25726713-Compound-20 | Drug Info | [17] | |||
| 34 | PMID25726713-Compound-21 | Drug Info | [17] | |||
| 35 | PMID25726713-Compound-22 | Drug Info | [17] | |||
| 36 | PMID25726713-Compound-23 | Drug Info | [17] | |||
| 37 | PMID25726713-Compound-24 | Drug Info | [17] | |||
| 38 | PMID25726713-Compound-25 | Drug Info | [17] | |||
| 39 | PMID25726713-Compound-26 | Drug Info | [17] | |||
| 40 | PMID25726713-Compound-27 | Drug Info | [17] | |||
| 41 | PMID25726713-Compound-28 | Drug Info | [17] | |||
| 42 | PMID25726713-Compound-29 | Drug Info | [17] | |||
| 43 | PMID25726713-Compound-30 | Drug Info | [17] | |||
| 44 | PMID25726713-Compound-31 | Drug Info | [17] | |||
| 45 | PMID25726713-Compound-32 | Drug Info | [17] | |||
| 46 | PMID25726713-Compound-33 | Drug Info | [17] | |||
| 47 | PMID25726713-Compound-34 | Drug Info | [17] | |||
| 48 | PMID25726713-Compound-35 | Drug Info | [17] | |||
| 49 | PMID25726713-Compound-36 | Drug Info | [17] | |||
| 50 | PMID25726713-Compound-37 | Drug Info | [17] | |||
| 51 | PMID25726713-Compound-38 | Drug Info | [17] | |||
| 52 | PMID25726713-Compound-39 | Drug Info | [17] | |||
| 53 | PMID25726713-Compound-42 | Drug Info | [17] | |||
| 54 | PMID25726713-Compound-43 | Drug Info | [17] | |||
| 55 | PMID25726713-Compound-44 | Drug Info | [17] | |||
| 56 | PMID25726713-Compound-45 | Drug Info | [17] | |||
| 57 | PMID25726713-Compound-46 | Drug Info | [17] | |||
| 58 | PMID25726713-Compound-47 | Drug Info | [17] | |||
| 59 | PMID25726713-Compound-48 | Drug Info | [17] | |||
| 60 | PMID25726713-Compound-49 | Drug Info | [17] | |||
| 61 | PMID25726713-Compound-50 | Drug Info | [17] | |||
| 62 | PMID25726713-Compound-51 | Drug Info | [17] | |||
| 63 | PMID25726713-Compound-56 | Drug Info | [17] | |||
| 64 | PMID25726713-Compound-57 | Drug Info | [17] | |||
| 65 | PMID25726713-Compound-58 | Drug Info | [17] | |||
| 66 | PMID25726713-Compound-59 | Drug Info | [17] | |||
| 67 | PMID25726713-Compound-60 | Drug Info | [17] | |||
| 68 | PMID25726713-Compound-61 | Drug Info | [17] | |||
| 69 | PMID25726713-Compound-62 | Drug Info | [17] | |||
| 70 | PMID25726713-Compound-63 | Drug Info | [17] | |||
| 71 | PMID25726713-Compound-64 | Drug Info | [17] | |||
| 72 | Pyrimidine derivative 19 | Drug Info | [17] | |||
| 73 | Pyrimidine derivative 20 | Drug Info | [17] | |||
| 74 | Pyrimidine derivative 21 | Drug Info | [17] | |||
| 75 | Pyrimidine derivative 22 | Drug Info | [17] | |||
| 76 | 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine | Drug Info | [19] | |||
| 77 | CYCLOPAMINE | Drug Info | [21] | |||
| Antagonist | [+] 4 Antagonist drugs | + | ||||
| 1 | PMID25726713-Compound-17 | Drug Info | [17] | |||
| 2 | PMID25726713-Compound-18 | Drug Info | [17] | |||
| 3 | AZD8542 | Drug Info | [20] | |||
| 4 | SMOi2-17 | Drug Info | [20] | |||
| Cell-based Target Expression Variations | Top | |||||
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| Cell-based Target Expression Variations | ||||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: 24(S), 25-epoxycholesterol | Ligand Info | |||||
| Structure Description | Structure of human SMO-Gi complex with 24(S),25-EC | PDB:6XBM | ||||
| Method | Electron microscopy | Resolution | 3.14 Å | Mutation | No | [22] |
| PDB Sequence |
QCEVPLVRTD
201 NPKSWYEDVE211 GCGIQCQNPL221 FTEAEHQDMH231 SYIAAFGAVT241 GLCTLFTLAT 251 FVADWRNSNR261 YPAVILFYVN271 ACFFVGSIGW281 LAQFMDGARR291 EIVCRADGTM 301 RLGEPTSNET311 LSCVIIFVIV321 YYALMAGVVW331 FVVLTYAWHT341 SFKALGTTYQ 351 PLSGKTSYFH361 LLTWSLPFVL371 TVAILAVAQV381 DGDSVSGICF391 VGYKNYRYRA 401 GFVLAPIGLV411 LIVGGYFLIR421 GVMTLFSIKS431 NHPGLLSEKA441 ASKINETMLR 451 LGIFGFLAFG461 FVLITFSCHF471 YDFFNQAEWE481 RSFRDYVLCQ491 ANVTIPSLLV 517 EKINLFAMFG527 TGIAMSTWVW537 T
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GLU194
4.758
LEU197
4.318
TYR207
3.685
ILE215
3.423
ASN219
2.585
LEU221
4.693
PHE222
3.497
TRP281
3.699
MET301
2.951
LEU325
3.756
GLY383
3.484
ASP384
3.188
VAL386
3.547
SER387
4.123
PHE391
3.841
TYR394
3.744
LYS395
4.470
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Structure of human SMO-G111C/I496C complex with Gi | PDB:6XBK | ||||
| Method | Electron microscopy | Resolution | 3.24 Å | Mutation | Yes | [22] |
| PDB Sequence |
HCGRAAPCEP
72 LRYNVCLGSV82 LPYGATSTLL92 AGDSDSQEEA102 HGKLVLWSCL112 RNAPRCWAVI 122 QPLLCAVYMP132 KCENDRVELP142 SRTLCQATRG152 PCAIVERERG162 WPDFLRCTPD 172 RFPEGCTNEV182 QNIKFNSSGQ192 CEVPLVRTDN202 PKSWYEDVEG212 CGIQCQNPLF 222 TEAEHQDMHS232 YIAAFGAVTG242 LCTLFTLATF252 VADWRNSNRY262 PAVILFYVNA 272 CFFVGSIGWL282 AQFMDGARRE292 IVCRADGTMR302 LGEPTSNETL312 SCVIIFVIVY 322 YALMAGVVWF332 VVLTYAWHTS342 FKALGTTYQP352 LSGKTSYFHL362 LTWSLPFVLT 372 VAILAVAQVD382 GDSVSGICFV392 GYKNYRYRAG402 FVLAPIGLVL412 IVGGYFLIRG 422 VMTLFSIKSN432 HPGLLSEKAA442 SKINETMLRL452 GIFGFLAFGF462 VLITFSCHFY 472 DFFNQAEWER482 SFRDYVLCQA492 NVTCGDCEIK510 NRPSLLVEKI520 NLFAMFGTGI 530 AMSTWVWT
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ASN219
4.843
PHE222
3.400
TRP281
4.186
LEU325
3.693
ASP384
3.451
VAL386
3.976
SER387
3.310
PHE391
3.939
TYR394
3.524
ARG400
3.456
VAL404
4.361
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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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
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There is no similarity protein (E value < 0.005) for this target
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| KEGG Pathway | Pathway ID | Affiliated Target | Pathway Map |
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| Hedgehog signaling pathway | hsa04340 | Affiliated Target |
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| Class: Environmental Information Processing => Signal transduction | Pathway Hierarchy | ||
| Axon guidance | hsa04360 | Affiliated Target |
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| Class: Organismal Systems => Development and regeneration | Pathway Hierarchy | ||
| Degree | 16 | Degree centrality | 1.72E-03 | Betweenness centrality | 5.22E-04 |
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| Closeness centrality | 2.17E-01 | Radiality | 1.38E+01 | Clustering coefficient | 2.42E-01 |
| Neighborhood connectivity | 1.90E+01 | Topological coefficient | 1.18E-01 | Eccentricity | 12 |
| Download | Click to Download the Full PPI Network of This Target | ||||
| Chemical Structure based Activity Landscape of Target | Top |
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| Drug Property Profile of Target | Top | |
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| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "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 | Top | |||||
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| Co-Targets | ||||||
| Target Regulators | Top | |||||
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| Target-regulating microRNAs | ||||||
| Target Profiles in Patients | Top | |||||
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| Target Expression Profile (TEP) | ||||||
| Drug Resistance Mutation (DRM) | ||||||
| Target Affiliated Biological Pathways | Top | |||||
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| KEGG Pathway | [+] 4 KEGG Pathways | + | ||||
| 1 | Hedgehog signaling pathway | |||||
| 2 | Pathways in cancer | |||||
| 3 | Proteoglycans in cancer | |||||
| 4 | Basal cell carcinoma | |||||
| Panther Pathway | [+] 1 Panther Pathways | + | ||||
| 1 | Hedgehog signaling pathway | |||||
| PID Pathway | [+] 2 PID Pathways | + | ||||
| 1 | Signaling events mediated by the Hedgehog family | |||||
| 2 | Hedgehog signaling events mediated by Gli proteins | |||||
| Reactome | [+] 3 Reactome Pathways | + | ||||
| 1 | Class B/2 (Secretin family receptors) | |||||
| 2 | Hedgehog 'off' state | |||||
| 3 | Activation of SMO | |||||
| WikiPathways | [+] 6 WikiPathways | + | ||||
| 1 | Hedgehog Signaling Pathway | |||||
| 2 | Hair Follicle Development: Organogenesis (Part 2 of 3) | |||||
| 3 | Hair Follicle Development: Induction (Part 1 of 3) | |||||
| 4 | Integrated Pancreatic Cancer Pathway | |||||
| 5 | GPCR ligand binding | |||||
| 6 | GPCRs, Other | |||||
| Target-Related Models and Studies | Top | |||||
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| Target Validation | ||||||
| References | Top | |||||
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| REF 1 | Nat Rev Drug Discov. 2013 Feb;12(2):87-90. | |||||
| REF 2 | 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89. | |||||
| REF 3 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6975). | |||||
| REF 4 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8199). | |||||
| REF 5 | ClinicalTrials.gov (NCT02002689) LDE225 for Patients With PTCH1 or SMO Mutated Tumors. U.S. National Institutes of Health. | |||||
| REF 6 | ClinicalTrials.gov (NCT01722292) A Study of LY2940680 in Small Cell Lung Cancer. U.S. National Institutes of Health. | |||||
| REF 7 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8202). | |||||
| REF 8 | Clinical pipeline report, company report or official report of Exelixis (2011). | |||||
| REF 9 | ClinicalTrials.gov (NCT01106508) A Dose Finding and Safety Study of Oral LEQ506 in Patients With Advanced Solid Tumors. U.S. National Institutes of Health. | |||||
| REF 10 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8200). | |||||
| REF 11 | ClinicalTrials.gov (NCT01204073) A Study of TAK-441 in Adult Patients With Advanced Nonhematologic Malignancies. U.S. National Institutes of Health. | |||||
| REF 12 | Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41. | |||||
| REF 13 | Inhibition of Hedgehog signalling by NVP-LDE225 (Erismodegib) interferes with growth and invasion of human renal cell carcinoma cells. Br J Cancer. 2014 Sep 9;111(6):1168-79. | |||||
| REF 14 | Discovery of NVP-LEQ506, a second-generation inhibitor of smoothened. ChemMedChem. 2013 Aug;8(8):1261-5. | |||||
| REF 15 | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Nat Commun. 2014 Jul 10;5:4355. | |||||
| REF 16 | TAK-441, a novel investigational smoothened antagonist, delays castration-resistant progression in prostate cancer by disrupting paracrine hedgehog signaling. Int J Cancer. 2013 Oct 15;133(8):1955-66. | |||||
| REF 17 | Hedgehog inhibitors: a patent review (2013 - present).Expert Opin Ther Pat. 2015 May;25(5):549-65. | |||||
| REF 18 | Evaluation of WO2014207069 A1: Multitarget Hedgehog pathway inhibitors and uses thereof.Expert Opin Ther Pat. 2016;26(4):529-35. | |||||
| REF 19 | 1-amino-4-benzylphthalazines as orally bioavailable smoothened antagonists with antitumor activity. J Med Chem. 2009 Jul 9;52(13):3954-68. | |||||
| REF 20 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 239). | |||||
| REF 21 | Identification and structure-activity relationships of ortho-biphenyl carboxamides as potent Smoothened antagonists inhibiting the Hedgehog signali... Bioorg Med Chem Lett. 2009 Jan 15;19(2):328-31. | |||||
| REF 22 | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling. Nat Chem Biol. 2020 Dec;16(12):1368-1375. | |||||
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