Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50007449
Substrate
n/a
Meas. Tech.
ChEBML_48263
IC50
0.800000±n/a nM
Citation
 Horwell, DCHughes, JHunter, JCPritchard, MCRichardson, RSRoberts, EWoodruff, GN Rationally designed"dipeptoid" analogues of CCK. alpha-Methyltryptophan derivatives as highly selective and orally active gastrin and CCK-B antagonists with potent anxiolytic properties. J Med Chem 34:404-14 (1991) [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:
BDBM50007449
Synonyms:
3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propylcarbamoyl}-acrylic acid | CHEMBL337384
Type:
Small organic molecule
Emp. Form.:
C36H42N4O6
Mol. Mass.:
626.7419
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:35.40,wU:19.27,17.29,23.24,29.33,1.0,wD:1.13,21.23,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:21:16:19.18.24,(21.99,-13.05,;21.9,-11.54,;21.87,-10,;22.97,-8.93,;22.07,-7.68,;22.97,-6.43,;24.44,-6.91,;25.76,-6.13,;27.11,-6.9,;27.11,-8.45,;25.76,-9.23,;24.44,-8.45,;20.56,-12.33,;19.21,-11.57,;19.21,-10.03,;17.89,-12.34,;16.34,-12.33,;15.36,-11.17,;13.94,-10.98,;13.27,-12.31,;11.63,-12.89,;13.16,-13.21,;14.16,-14.35,;15.65,-13.69,;14.23,-13.36,;13.88,-11.79,;23.22,-12.3,;24.56,-11.5,;23.24,-13.84,;24.59,-14.59,;24.6,-16.13,;23.28,-16.92,;23.29,-18.46,;24.63,-19.21,;21.96,-19.24,;20.62,-18.49,;19.3,-19.27,;17.95,-18.5,;19.31,-20.82,;25.92,-13.82,;27.26,-14.58,;28.57,-13.78,;29.9,-14.54,;29.93,-16.1,;28.61,-16.87,;27.26,-16.12,)|
Structure:
Search PDB for entries with ligand similarity: