CCK-8   Click here for help

GtoPdb Ligand ID: 864

Synonyms: CCK-8 (sulphated) | cholecystokinin 8 | cholecystokinin fragment 26-33 amide (sulphated)
Comment: The sulphated form of CCK-8. A synthetic variant, desulphated CCK-8 also exists.
Species: Human, Mouse, Rat
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View more information in the IUPHAR Pharmacology Education Project: cck-8, cholecystokinin

2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccc(cc1)OS(=O)(=O)O
Isomeric SMILES CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)OS(=O)(=O)O
InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
InChI Key IZTQOLKUZKXIRV-YRVFCXMDSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
IUPAC Name Click here for help
(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
International Nonproprietary Names Click here for help
INN number INN
3617 sincalide
Synonyms Click here for help
CCK-8 (sulphated) | cholecystokinin 8 | cholecystokinin fragment 26-33 amide (sulphated)
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
CCK cholecystokinin Human prepro-cholecystokinin -
Cck cholecystokinin Mouse prepro-cholecystokinin -
Cck cholecystokinin Rat prepro-cholecystokinin cholecystokinin
Database Links Click here for help
CAS Registry No. 25126-32-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1121
DrugCentral Ligand 4627
GtoPdb PubChem SID 135651651
PubChem CID 9833444
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UniProtKB P06307 (Hs), P09240 (Mm), P01355 (Rn)
Wikipedia Sincalide

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