Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50005811
Substrate
n/a
Meas. Tech.
ChEBML_50060
IC50
852±n/a nM
Citation
 Fincham, CI; Higginbottom, M; Hill, DR; Horwell, DC; O'Toole, JC; Ratcliffe, GS; Rees, DC; Roberts, E Amide bond replacements incorporated into CCK-B selective"dipeptoids". J Med Chem 35:1472-84 (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:
BDBM50005811
Synonyms:
CHEMBL285049 | [1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid adamantan-2-yl ester;0.5H2O
Type:
Small organic molecule
Emp. Form.:
C31H37N3O4
Mol. Mass.:
515.6432
SMILES:
OCC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)|
Structure:
Search PDB for entries with ligand similarity: