Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50230668
Substrate
n/a
Meas. Tech.
ChEMBL_48424 (CHEMBL660352)
Ki
813±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:
BDBM50230668
Synonyms:
CHEMBL3350393
Type:
Small organic molecule
Emp. Form.:
C31H37N3O4
Mol. Mass.:
515.6432
SMILES:
[H][C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.1,wD:29.34,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:21:16:19.18.25,20:19:16:21.22.23,15:16:25:21.23.20,(4.93,-4.96,;5.31,-3.47,;6.66,-4.24,;6.65,-5.78,;5.38,-6.66,;5.86,-8.14,;7.4,-8.14,;8.42,-9.29,;9.93,-8.97,;10.41,-7.52,;9.38,-6.37,;7.88,-6.69,;3.82,-3.16,;2.81,-4.31,;3.29,-5.78,;1.28,-4.03,;.27,-5.18,;-1.22,-4.96,;-1.88,-6.4,;-1.47,-7.93,;-2.78,-8.7,;-1.98,-7.17,;-2.38,-5.76,;-.58,-7.32,;.67,-6.65,;.04,-8.11,;6.34,-2.31,;5.86,-.85,;7.85,-2.61,;8.88,-1.46,;8.38,,;9.41,1.16,;10.39,-1.77,;11.41,-.61,;10.9,.86,;11.93,2.01,;13.44,1.7,;13.94,.25,;12.92,-.91,)|
Structure:
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