Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCholecystokinin receptor
LigandBDBM50006883
Substrate/Competitorn/a
Meas. Tech.ChEBML_49401
IC50 1300±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 Chem35:2573-81 (1992) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholecystokinin receptor
Name:Cholecystokinin receptor
Synonyms:Cholecystokinin peripheral | Cholecystokinin receptor type A
Type:Enzyme Catalytic Domain
Mol. Mass.:49676.37
Organism:RAT
Description:Cholecystokinin central 0 RAT::P30551
Residue:444
Sequence:
MSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQI
LLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLK
DFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAAT
WCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVM
VVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQL
SSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAE
KHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEE
DGRTIRALLSRYSYSHMSTSAPPP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50006883
NameBDBM50006883
Synonyms:CHEMBL313499 | [1-[2-(3-Hydroxycarbamoyl-propionylamino)-2-phenyl-ethylcarbamoyl]-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester (1.5 hydrate)
TypeSmall organic molecule
Emp. Form.C35H43N5O6
Mol. Mass.629.7458
SMILESCC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NO)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(9.29,-10.11,;9.29,-8.57,;9.29,-7.02,;8.4,-5.75,;6.88,-5.98,;6.2,-4.6,;7.28,-3.53,;7.22,-1.98,;8.51,-1.15,;9.88,-1.86,;9.95,-3.41,;8.65,-4.23,;7.95,-9.32,;6.62,-8.56,;6.62,-7.02,;5.28,-9.31,;3.95,-8.54,;3.95,-7,;2.63,-6.21,;1.29,-6.97,;-.68,-7.04,;.66,-7.81,;2.13,-7.4,;1.06,-9.29,;2.6,-9.29,;1.27,-8.52,;10.62,-9.33,;10.62,-10.87,;11.94,-8.56,;13.28,-9.32,;14.61,-8.54,;14.6,-7,;15.93,-6.21,;15.91,-4.67,;17.27,-6.97,;18.61,-6.19,;19.94,-6.95,;19.97,-8.5,;21.28,-6.17,;22.63,-6.93,;15.95,-9.29,;15.96,-10.84,;17.29,-11.61,;18.63,-10.82,;18.61,-9.27,;17.27,-8.52,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a