Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50230674
Substrate
n/a
Meas. Tech.
ChEMBL_48424 (CHEMBL660352)
Ki
138±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:
BDBM50230674
Synonyms:
CHEMBL3351014
Type:
Small organic molecule
Emp. Form.:
C32H37N3O5
Mol. Mass.:
543.6533
SMILES:
[H][C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.1,29.38,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(3.03,-8.84,;2.44,-7.42,;3.98,-7.37,;4.78,-8.68,;4.2,-10.11,;5.37,-11.1,;6.68,-10.3,;8.16,-10.73,;9.28,-9.67,;8.91,-8.17,;7.43,-7.74,;6.32,-8.8,;2.07,-5.92,;3.19,-4.86,;4.66,-5.29,;2.82,-3.36,;3.94,-2.3,;5.31,-1.6,;5.31,-.2,;6.15,1.27,;7.52,.57,;7.52,-.82,;6.68,-2.3,;6.15,-1.52,;4.78,-.82,;4.78,.57,;1.32,-8.48,;-.16,-8.05,;1.69,-9.98,;.57,-11.04,;-.91,-10.61,;-2.02,-11.67,;-1.66,-13.17,;-3.5,-11.24,;.94,-12.54,;2.41,-12.97,;3.53,-11.91,;5,-12.34,;5.37,-13.84,;4.25,-14.9,;2.78,-14.46,)|
Structure:
Search PDB for entries with ligand similarity: