Target
Cholecystokinin receptor type A
Ligand
BDBM50005809
Substrate
n/a
Meas. Tech.
ChEBML_50060
IC50
1080±n/a nM
Citation
 Fincham, CIHigginbottom, MHill, DRHorwell, DCO'Toole, JCRatcliffe, GSRees, DCRoberts, 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:
BDBM50005809
Synonyms:
CHEMBL35555 | [2-(1H-Indol-3-yl)-1-methyl-1-(phenethylamino-methyl)-ethyl]-carbamic acid adamantan-2-yl ester;0.75H2O
Type:
Small organic molecule
Emp. Form.:
C31H39N3O2
Mol. Mass.:
485.6603
SMILES:
CC(CNCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.38,wD:31.34,27.30,33.37,TLB:25:26:28:31.35.30,THB:32:33:28:31.35.30,32:31:28:26.33.34,30:29:26:31.35.32,(13.64,-8.63,;12.89,-7.3,;14.42,-7.18,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;6.85,-9.3,;5.48,-9.79,;5.51,-11.27,;4.31,-12.55,;5.8,-12.13,;7.21,-12.7,;8.24,-11.43,;6.83,-11.77,;5.8,-10.55,)|
Structure:
Search PDB for entries with ligand similarity: