Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070419
Substrate
n/a
Meas. Tech.
ChEBML_40213
Ki
28±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:
BDBM50070419
Synonyms:
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-phenoxy-pyrrolidine-2-carboxylic acid | CHEMBL339451
Type:
Small organic molecule
Emp. Form.:
C34H39N3O6
Mol. Mass.:
585.69
SMILES:
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccccc1)[C@@]([H])(C2)C3 |wU:14.28,43.48,3.3,wD:32.36,30.39,6.6,1.0,TLB:5:3:45:9.6.8,10:9:45:3.46.2,THB:5:6:45:3.46.2,2:3:9:1.45.8,2:1:9:3.5.46,(5.34,-8.16,;6.78,-8.71,;5.58,-10,;7.08,-9.56,;6.98,-11.1,;8.47,-10.13,;9.49,-8.85,;10.92,-9.37,;8.08,-9.21,;9.5,-7.34,;10.82,-6.56,;12.14,-7.3,;12.56,-5.72,;12.17,-8.85,;13.69,-8.85,;13.69,-7.3,;13.69,-10.37,;12.82,-11.81,;13.47,-13.37,;12.21,-14.47,;10.78,-13.56,;9.18,-14.05,;7.95,-12.89,;8.34,-11.26,;9.95,-10.79,;11.17,-11.95,;15.23,-8.85,;15.98,-10.18,;15.98,-7.52,;15.37,-6.11,;16.5,-5.1,;17.84,-5.85,;17.52,-7.36,;18.53,-8.5,;20.04,-8.17,;18.07,-9.95,;16.34,-3.56,;17.6,-2.66,;17.43,-1.14,;18.65,-.24,;20.07,-.87,;20.23,-2.4,;18.99,-3.29,;8.11,-6.76,;8.14,-5.24,;6.76,-7.24,;7.07,-8,)|
Structure:
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