Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070416
Substrate
n/a
Meas. Tech.
ChEBML_40213
Ki
33±n/a nM
Citation
 Bellier, B; Da Nascimento, S; Meudal, H; Gincel, E; Roques, BP; Garbay, C Novel constrained CCK-B dipeptoid antagonists derived from pipecolic acid. Bioorg Med Chem Lett 8:1419-24 (1999) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin B receptor | Cholecystokinin receptor | GASR_RAT | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48980.43
Organism:
RAT
Description:
Cholecystokinin A CCKBR RAT::P30553
Residue:
452
Sequence:
MELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50070416
Synonyms:
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(4-nitro-phenoxy)-pyrrolidine-2-carboxylic acid | CHEMBL423119
Type:
Small organic molecule
Emp. Form.:
C34H38N4O8
Mol. Mass.:
630.6875
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(cc1)[N+]([O-])=O |wU:1.13,wD:32.38,30.41,1.0,TLB:15:16:19.18.25:21.23.22,15:16:25:21.23.20,22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.23.22,20:21:16:19.18.25,(18.67,-9.94,;18.69,-11.49,;18.7,-13.03,;17.92,-14.36,;16.39,-14.49,;16.03,-16,;17.37,-16.77,;17.66,-18.28,;19.11,-18.79,;20.27,-17.77,;19.98,-16.28,;18.53,-15.78,;17.34,-10.72,;16,-11.53,;16.03,-13.07,;14.67,-10.79,;13.33,-11.58,;12.14,-10.3,;10.82,-10.79,;9.41,-10.43,;9.41,-8.91,;10.79,-8.33,;12.14,-8.82,;11.85,-9.57,;11.84,-11.14,;10.43,-11.72,;20.01,-10.69,;19.99,-9.15,;21.56,-10.69,;22.46,-9.44,;23.91,-9.91,;23.91,-11.43,;22.47,-11.91,;21.98,-13.39,;23.04,-14.52,;20.49,-13.72,;25.17,-8.99,;26.57,-9.62,;27.81,-8.7,;29.22,-9.31,;29.41,-10.85,;28.15,-11.78,;26.75,-11.14,;30.82,-11.49,;30.99,-13.01,;32.05,-10.56,)|
Structure:
Search PDB for entries with ligand similarity: