Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0B2MN
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| Former ID |
DIB019998
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| Drug Name |
helodermin
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| Synonyms |
Exendin 2
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C176H285N47O49
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N6CCCC6C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC7=CN=CN7)N
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| InChI |
1S/C176H285N47O49/c1-23-93(15)138(217-146(243)98(20)194-159(256)124(78-137(237)238)210-167(264)126(82-225)214-147(244)107(180)77-104-79-187-86-190-104)169(266)212-123(74-101-38-26-25-27-39-101)164(261)220-140(99(21)229)171(268)202-114(57-60-135(183)235)153(250)200-113(56-59-134(182)234)154(251)209-122(76-103-49-53-106(232)54-50-103)163(260)215-127(83-226)166(263)198-110(42-30-33-63-179)150(247)205-120(73-92(13)14)161(258)206-117(70-89(7)8)157(254)191-95(17)143(240)196-108(40-28-31-61-177)149(246)204-116(69-88(5)6)156(253)192-96(18)144(241)203-119(72-91(11)12)160(257)201-112(55-58-133(181)233)152(249)197-109(41-29-32-62-178)151(248)208-121(75-102-47-51-105(231)52-48-102)162(259)207-118(71-90(9)10)158(255)193-97(19)145(242)213-128(84-227)168(265)218-139(94(16)24-2)170(267)211-115(68-87(3)4)148(245)189-80-136(236)195-125(81-224)165(262)199-111(43-34-64-188-176(185)186)155(252)219-141(100(22)230)172(269)216-129(85-228)173(270)222-66-36-45-131(222)175(272)223-67-37-46-132(223)174(271)221-65-35-44-130(221)142(184)239/h25-27,38-39,47-54,79,86-100,107-132,138-141,224-232H,23-24,28-37,40-46,55-78,80-85,177-180H2,1-22H3,(H2,181,233)(H2,182,234)(H2,183,235)(H2,184,239)(H,187,190)(H,189,245)(H,191,254)(H,192,253)(H,193,255)(H,194,256)(H,195,236)(H,196,240)(H,197,249)(H,198,263)(H,199,262)(H,200,250)(H,201,257)(H,202,268)(H,203,241)(H,204,246)(H,205,247)(H,206,258)(H,207,259)(H,208,248)(H,209,251)(H,210,264)(H,211,267)(H,212,266)(H,213,242)(H,214,244)(H,215,260)(H,216,269)(H,217,243)(H,218,265)(H,219,252)(H,220,261)(H,237,238)(H4,185,186,188)/t93-,94-,95-,96-,97-,98-,99+,100+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,138-,139-,140-,141-/m0/s1
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| InChIKey |
SSAAJZQUEUTACT-MDBKHZGBSA-N
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| CAS Number |
CAS 89468-62-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Helodermin-preferring VIP receptor (VIPR2) | Target Info | Agonist | [2] |
| Vasoactive intestinal polypeptide receptor 1 (VIPR1) | Target Info | Agonist | [3] | |
| KEGG Pathway | cAMP signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| Pathway Interaction Database | Glucocorticoid receptor regulatory network | |||
| Reactome | G alpha (s) signalling events | |||
| WikiPathways | SIDS Susceptibility Pathways | |||
| GPCRs, Class B Secretin-like | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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: 2280). | |||
| REF 2 | Analogues of VIP, helodermin, and PACAP discriminate between rat and human VIP1 and VIP2 receptors. Ann N Y Acad Sci. 1998 Dec 11;865:247-52. | |||
| REF 3 | Stable expression of the recombinant human VIP1 receptor in clonal Chinese hamster ovary cells: pharmacological, functional and molecular properties. Eur J Pharmacol. 1996 Apr 29;302(1-3):207-14. | |||
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