Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50230686
Substrate
n/a
Meas. Tech.
ChEMBL_48424 (CHEMBL660352)
Ki
355±n/a nM
Citation
 Higginbottom, M; Kneen, C; Ratcliffe, GS Rationally designed"dipeptoid" analogues of CCK. A Free-Wilson/Fujita-Ban analysis of some alpha-methyltryptophan derivatives as CCK-B antagonists. J Med Chem 35:1572-7 (1992) [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:
BDBM50230686
Synonyms:
CHEMBL2021373
Type:
Small organic molecule
Emp. Form.:
C34H40N4O6
Mol. Mass.:
600.7046
SMILES:
OC(=O)CCC(=O)NC(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |r,wU:13.13,TLB:37:36:34:31.30.32,THB:37:31:34:28.36.35,27:28:34:31.30.32,32:33:28:31.30.37,32:31:28:33.34.35,(2.59,9.48,;1.07,9.79,;.57,11.25,;.06,8.63,;-1.45,8.92,;-2.48,7.77,;-1.98,6.32,;-3.99,8.09,;-4.47,9.53,;-5.99,9.83,;-7.01,8.68,;-8.52,8.99,;-9.01,10.44,;-9.55,7.83,;-8.21,7.06,;-8.23,5.52,;-9.48,4.63,;-9.01,3.15,;-7.47,3.15,;-6.47,2.02,;-4.96,2.32,;-4.47,3.78,;-5.5,4.92,;-6.99,4.62,;-11.06,8.13,;-12.07,6.97,;-11.57,5.52,;-13.6,7.28,;-14.6,6.13,;-16.1,6.33,;-16.76,4.89,;-16.33,3.37,;-17.64,2.59,;-16.85,4.12,;-17.26,5.55,;-15.46,3.98,;-14.21,4.65,;-14.83,3.18,;-3.46,10.69,;-3.96,12.15,;-2.94,13.3,;-1.42,13,;-.94,11.54,;-1.95,10.38,)|
Structure:
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