Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50289879
Substrate
n/a
Meas. Tech.
ChEMBL_48424 (CHEMBL660352)
Ki
21±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:
BDBM50289879
Synonyms:
CHEMBL62205 | [(S)-2-(1H-Indol-3-yl)-1-methyl-1-phenethylcarbamoyl-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C31H37N3O3
Mol. Mass.:
499.6438
SMILES:
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |wU:1.0,wD:1.13,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.23.22,20:21:16:19.18.25,15:16:25:21.23.20,(5.32,1.29,;5.32,-.26,;5.74,-1.74,;5.33,-3.23,;4.22,-4.1,;4.45,-5.49,;5.76,-5.99,;5.97,-7.37,;7.27,-7.88,;8.37,-7,;8.14,-5.62,;6.85,-5.12,;3.98,-1.04,;2.65,-.29,;2.64,1.25,;1.32,-1.06,;-.02,-1.83,;-1.35,-1.06,;-1.92,-2.3,;-1.92,-4.71,;-3.5,-4.99,;-2.68,-3.37,;-2.68,-1.83,;-1.35,-4.15,;-.02,-3.37,;-.4,-5.17,;6.67,-1.01,;6.69,-2.56,;8,-.23,;9.34,-.99,;10.67,-.21,;12.02,-.97,;13.34,-.17,;14.67,-.94,;14.69,-2.49,;13.36,-3.27,;12.03,-2.51,)|
Structure:
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