Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50230684
Substrate
n/a
Meas. Tech.
ChEMBL_48424 (CHEMBL660352)
Ki
4.0±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:
BDBM50230684
Synonyms:
CHEMBL353157 | PD-135118
Type:
Small organic molecule
Emp. Form.:
C36H44N4O6
Mol. Mass.:
628.7578
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:29.34,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,15:16:21.23.22:19.18.25,20:21:16:19.18.25,20:19:16:21.23.22,(3.3,-9.92,;4.62,-10.71,;5.96,-9.95,;5.97,-8.41,;5.07,-7.17,;5.98,-5.93,;7.45,-6.4,;8.77,-5.63,;10.11,-6.4,;10.11,-7.94,;8.77,-8.71,;7.44,-7.94,;3.27,-11.46,;1.94,-10.69,;1.97,-9.15,;.61,-11.44,;-.93,-11.44,;-.74,-13,;-1.6,-14.43,;-3.12,-14.03,;-4.59,-14.66,;-3.54,-13.21,;-2.12,-13.53,;-3.73,-11.69,;-2.42,-11.04,;-3.33,-12.42,;5.95,-11.48,;5.93,-13.02,;7.28,-10.71,;8.61,-11.48,;8.61,-13.02,;7.28,-13.79,;7.26,-15.33,;5.93,-16.1,;8.61,-16.1,;8.59,-17.64,;9.94,-18.41,;9.92,-19.95,;11.27,-17.64,;9.95,-10.71,;11.28,-11.48,;11.28,-13.02,;12.61,-13.79,;13.94,-13.02,;13.94,-11.46,;12.61,-10.71,)|
Structure:
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