[Pro34]NPY   Click here for help

GtoPdb Ligand ID: 3848

Compound class: Peptide or derivative
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES NCCCCC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)N)CO
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC
InChI InChI=1S/C190H286N54O56S/c1-15-95(7)149(178(291)232-129(84-142(194)254)168(281)225-124(77-94(5)6)170(283)238-150(96(8)16-2)179(292)239-151(101(13)247)180(293)222-117(32-22-69-208-190(202)203)156(269)220-119(58-61-141(193)253)161(274)218-116(31-21-68-207-189(200)201)159(272)234-133(186(299)300)82-106-46-56-112(252)57-47-106)237-171(284)127(81-105-44-54-111(251)55-45-105)228-167(280)128(83-107-88-204-92-210-107)229-158(271)115(30-20-67-206-188(198)199)219-164(277)123(76-93(3)4)224-154(267)98(10)212-172(285)134(90-245)235-166(279)126(80-104-42-52-110(250)53-43-104)227-165(278)125(79-103-40-50-109(249)51-41-103)226-157(270)114(29-19-66-205-187(196)197)216-152(265)97(9)211-155(268)121(64-75-301-14)221-169(282)131(87-148(263)264)231-162(275)120(60-63-146(259)260)217-153(266)99(11)213-175(288)137-34-24-70-240(137)181(294)100(12)214-163(276)130(86-147(261)262)230-160(273)118(59-62-145(257)258)215-144(256)89-209-174(287)136-33-23-72-242(136)184(297)132(85-143(195)255)233-176(289)139-36-26-73-243(139)185(298)140-37-27-74-244(140)183(296)122(28-17-18-65-191)223-173(286)135(91-246)236-177(290)138-35-25-71-241(138)182(295)113(192)78-102-38-48-108(248)49-39-102/h38-57,88,92-101,113-140,149-151,245-252H,15-37,58-87,89-91,191-192H2,1-14H3,(H2,193,253)(H2,194,254)(H2,195,255)(H,204,210)(H,209,287)(H,211,268)(H,212,285)(H,213,288)(H,214,276)(H,215,256)(H,216,265)(H,217,266)(H,218,274)(H,219,277)(H,220,269)(H,221,282)(H,222,293)(H,223,286)(H,224,267)(H,225,281)(H,226,270)(H,227,278)(H,228,280)(H,229,271)(H,230,273)(H,231,275)(H,232,291)(H,233,289)(H,234,272)(H,235,279)(H,236,290)(H,237,284)(H,238,283)(H,239,292)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,299,300)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t95-,96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,149-,150-,151-/m0/s1
InChI Key KGMHLNCUUWACQT-CCSRBEGYSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
Specialist databases
GPCRdb Ligand [Pro34]NPY
Other databases
GtoPdb PubChem SID 178100688
PubChem CID 155817461
Search Google for chemical match using the InChIKey KGMHLNCUUWACQT-CCSRBEGYSA-N
Search Google for chemicals with the same backbone KGMHLNCUUWACQT
UniChem Compound Search for chemical match using the InChIKey KGMHLNCUUWACQT-CCSRBEGYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KGMHLNCUUWACQT-CCSRBEGYSA-N