CCK-4   Click here for help

GtoPdb Ligand ID: 861

Synonyms: cholecystokinin fragment 30-33 amide | tetragastrin
Comment: Cleaved from the 115 amino acid endogenous peptide cholecystokinin. There is some ambiguity in the exact stereochemistry of CCK-4. The structure shown here does not specify stereochemistry and is also represented by the PubChem CID in the table above. CID 446569 and CHEMBL120632 represent the compound with stereochemistry.
Species: Human
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2D Structure
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Canonical SMILES CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N
Isomeric SMILES CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N
InChI InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
IUPAC Name Click here for help
3-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
Synonyms Click here for help
cholecystokinin fragment 30-33 amide | tetragastrin
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
CCK cholecystokinin Human prepro-cholecystokinin -
Database Links Click here for help
Specialist databases
GPCRdb Ligand CCK-4
Other databases
Ensembl Gene ENSG00000187094 (Hs)
GtoPdb PubChem SID 135651650
Human Protein Atlas ENSG00000187094 (Hs)
PubChem CID 4329839
Search Google for chemical match using the InChIKey RGYLYUZOGHTBRF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RGYLYUZOGHTBRF
UniChem Compound Search for chemical match using the InChIKey RGYLYUZOGHTBRF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RGYLYUZOGHTBRF-UHFFFAOYSA-N
UniProtKB P06307 (Hs)
Wikipedia CCK-4