CCK-4   

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
2D Structure
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SMILES / InChI / InChIKey
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
Natural/Endogenous Targets
Target
CCK1 receptor
CCK2 receptor
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
CCK2 receptor Hs Agonist Full agonist 7.5 pIC50 - 2
pIC50 7.5 [2]
CCK1 receptor Rn Agonist Full agonist 5.3 pIC50 - 1
pIC50 5.3 [1]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference