Target
Cholecystokinin receptor type A
Ligand
BDBM50006884
Substrate
n/a
Meas. Tech.
ChEBML_49401
IC50
2700±n/a nM
Citation
 Drysdale, MJPritchard, MCHorwell, DC Rationally designed"dipeptoid" analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988. J Med Chem 35:2573-81 (1992) [PubMed]  Article 
Target
Name:
Cholecystokinin receptor type A
Synonyms:
CCKAR_RAT | Cckar | Cholecystokinin peripheral | Cholecystokinin receptor | Cholecystokinin receptor type A
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49676.37
Organism:
RAT
Description:
Cholecystokinin central 0 RAT::P30551
Residue:
444
Sequence:
MSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
  
Inhibitor
Name:
BDBM50006884
Synonyms:
(2-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-ethyl)-phosphonic acid (1.25 hydrate) | CHEMBL314178
Type:
Small organic molecule
Emp. Form.:
C34H43N4O7P
Mol. Mass.:
650.7016
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(O)(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(11.9,-7.66,;11.91,-6.12,;11.91,-4.58,;11.02,-3.31,;9.5,-3.55,;8.8,-2.17,;9.9,-1.08,;9.83,.46,;11.13,1.28,;12.51,.58,;12.56,-.96,;11.27,-1.8,;10.57,-6.89,;9.22,-6.12,;9.22,-4.58,;7.89,-6.88,;6.56,-6.1,;6.56,-4.56,;5.23,-3.78,;3.9,-4.53,;1.94,-4.6,;3.27,-5.37,;4.76,-4.97,;3.67,-6.87,;5.21,-6.87,;3.88,-6.07,;13.24,-6.89,;13.24,-8.43,;14.57,-6.12,;15.9,-6.88,;17.23,-6.1,;17.22,-4.56,;18.53,-3.78,;18.52,-2.24,;19.86,-4.53,;21.21,-3.74,;22.55,-4.5,;23.91,-5.23,;22.2,-6,;23.29,-3.13,;18.56,-6.87,;18.57,-8.41,;19.91,-9.17,;21.24,-8.38,;21.22,-6.84,;19.89,-6.09,)|
Structure:
Search PDB for entries with ligand similarity: