Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50056455
Substrate
n/a
Meas. Tech.
ChEMBL_48602 (CHEMBL656925)
Ki
80±n/a nM
Citation
 Blommaert, AG; Dhôtel, H; Ducos, B; Durieux, C; Goudreau, N; Bado, A; Garbay, C; Roques, BP Structure-based design of new constrained cyclic agonists of the cholecystokinin CCK-B receptor. J Med Chem 40:647-58 (1997) [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:
BDBM50056455
Synonyms:
CHEMBL348344 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[(5R,8R)-8-(1H-indol-3-ylmethyl)-8-methyl-7,10-dioxo-1,2-dithia-6,9-diaza-cyclotetradecane-5-carbonyl]-amino}-succinamic acid
Type:
Small organic molecule
Emp. Form.:
C34H42N6O7S2
Mol. Mass.:
710.863
SMILES:
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@@H](NC1=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Structure:
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