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Target
Cholecystokinin receptor type A
Ligand
BDBM50449519
Substrate
n/a
Meas. Tech.
ChEMBL_40055 (CHEMBL655654)
IC50
1200±n/a nM
Citation
 Suckling, CJ; Tedford, MC; Bence, LM; Irvine, JI; WH, WH The synthesis and CCK receptor affinities of selected carboyxlic acid mimics of CI-988 - a potent and selective CCK-B antagonist Bioorg Med Chem Lett 2:45-8 (1992)   
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:
BDBM50449519
Synonyms:
CHEMBL2304157
Type:
Small organic molecule
Emp. Form.:
C36H43N9O5
Mol. Mass.:
681.7839
SMILES:
[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CCC(=O)Nc1nn[nH]n1)c1ccccc1 |wU:1.36,6.6,wD:6.7,1.0,TLB:28:23:31:27.29.26,28:27:22.23.24:31,THB:21:22:31:27.29.26,26:27:22:25.24.31,26:25:22:27.29.28,(14.87,-7.82,;13.33,-7.82,;11.85,-7.43,;10.37,-7.82,;9.99,-6.33,;11.07,-5.26,;8.34,-6.7,;9.89,-4.24,;8.1,-4.46,;8.59,-2.99,;7.68,-1.75,;8.59,-.5,;10.04,-.98,;11.37,-.19,;12.72,-.96,;12.72,-2.52,;11.37,-3.29,;10.04,-2.52,;7.01,-5.53,;5.91,-6.61,;6.31,-8.1,;4.42,-6.21,;3.34,-7.3,;3.48,-8.82,;2.15,-9.32,;.77,-8.99,;-.28,-10.39,;1.17,-9.81,;2.64,-10.2,;.98,-8.22,;1.87,-6.87,;.59,-7.51,;13.01,-9.64,;14.12,-10.8,;13.03,-11.88,;15.61,-11.2,;16.01,-12.69,;14.92,-13.77,;13.42,-13.38,;15.31,-15.27,;16.81,-15.66,;17.34,-17.09,;18.88,-17.02,;19.28,-15.52,;18,-14.68,;14.66,-7.05,;16.01,-7.82,;17.32,-7.03,;17.32,-5.49,;15.97,-4.74,;14.64,-5.51,)|
Structure:
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