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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SMILES / InChI / InChIKey
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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)
InChI Key RGYLYUZOGHTBRF-UHFFFAOYSA-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
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
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