Target
Cholecystokinin receptor type A
Ligand
BDBM50449747
Substrate
n/a
Meas. Tech.
ChEBML_50048
IC50
4300±n/a nM
Citation
 Padia, JKBolton, GLHill, DHorell, DCRoth, BDTrivedi, BK Synthesis and sar study of novel CCK-B antagonists Bioorg Med Chem Lett 3:2805-2810 (1993)    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:
BDBM50449747
Synonyms:
CHEMBL2304062
Type:
Small organic molecule
Emp. Form.:
C35H42N4O6
Mol. Mass.:
614.7312
SMILES:
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:3.3,6.6,14.16,wD:45.49,1.0,30.41,TLB:8:6:48:1.47.2,8:1:48:9.6.5,THB:10:9:48:1.47.2,2:3:9:1.8.47,2:1:9:3.48.5,(9.27,-3.28,;10.78,-3.02,;9.99,-1.76,;10.9,-.65,;10.13,.67,;10.64,-2.25,;11.48,-3.6,;12.2,-4.96,;10.41,-4.75,;12.97,-3.35,;13.98,-4.49,;15.5,-4.18,;15.98,-2.72,;16.54,-5.32,;18.04,-4.99,;19.38,-4.22,;18.9,-2.94,;18.2,-1.17,;19.34,-.14,;18.71,1.27,;17.18,1.11,;16.04,2.14,;14.57,1.66,;14.25,.16,;15.4,-.87,;16.86,-.4,;19.08,-6.13,;18.61,-7.6,;20.59,-5.8,;21.62,-6.94,;23.13,-6.61,;24.17,-7.75,;25.67,-7.42,;26.14,-5.95,;26.71,-8.56,;28.21,-8.23,;29.25,-9.37,;30.75,-9.04,;28.78,-10.83,;23.59,-5.14,;25.1,-4.81,;25.57,-3.35,;24.53,-2.21,;23.02,-2.54,;22.56,-4,;13.18,-1.74,;14.68,-1.42,;12.16,-2.75,;12.39,-.42,)|
Structure:
Search PDB for entries with ligand similarity: