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
Natural/Endogenous Targets
Target
CCK1 receptor
CCK2 receptor
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
OATP1B3
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 Ligand is endogenous in the given species Hs Agonist Full agonist 9.9 – 10.0 pIC50 - 3-4
pIC50 9.9 – 10.0 [3-4]
CCK1 receptor Ligand is endogenous in the given species Rn Agonist Full agonist 7.2 – 9.9 pIC50 - 2
pIC50 9.9 [2]
pIC50 7.2 [2]
CCK1 receptor Ligand is endogenous in the given species Hs Agonist Agonist - - -
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Targets where the ligand is described in the comment field
Target Comment
Ligand mentioned in the following text fields