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Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50475513
Substrate
n/a
Meas. Tech.
ChEMBL_321078 (CHEMBL872158)
Ki
32±n/a nM
Citation
 Low, CM; Buck, IM; Cooke, T; Cushnir, JR; Kalindjian, SB; Kotecha, A; Pether, MJ; Shankley, NP; Vinter, JG; Wright, L Scaffold hopping with molecular field points: identification of a cholecystokinin-2 (CCK2) receptor pharmacophore and its use in the design of a prototypical series of pyrrole- and imidazole-based CCK2 antagonists. J Med Chem 48:6790-802 (2005) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin receptor | GASR_MOUSE | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49196.59
Organism:
MOUSE
Description:
Cholecystokinin A CCKBR MOUSE::P56481
Residue:
453
Sequence:
MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50475513
Synonyms:
CHEMBL2067963
Type:
Small organic molecule
Emp. Form.:
C43H54N4O12
Mol. Mass.:
818.9085
SMILES:
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |r,TLB:46:47:51:45.44.50,THB:46:45:51:47.52.48,48:49:44:47.52.46,48:47:44:49.51.50|
Structure:
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