Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070414
Substrate
n/a
Meas. Tech.
ChEBML_40213
Ki
14±n/a nM
Citation
 Bellier, B; Da Nascimento, S; Meudal, H; Gincel, E; Roques, BP; Garbay, C Novel constrained CCK-B dipeptoid antagonists derived from pipecolic acid. Bioorg Med Chem Lett 8:1419-24 (1999) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin B receptor | Cholecystokinin receptor | GASR_RAT | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48980.43
Organism:
RAT
Description:
Cholecystokinin A CCKBR RAT::P30553
Residue:
452
Sequence:
MELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50070414
Synonyms:
CHEMBL286247 | {[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-[2-(4-chloro-phenyl)-ethyl]-amino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C33H38ClN3O5
Mol. Mass.:
592.125
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:1.13,wD:1.0,TLB:15:16:19.18.25:21.23.22,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,15:16:18:21.22.20,(7.91,-7.33,;7.94,-8.88,;7.94,-10.43,;7.17,-11.75,;5.62,-11.9,;5.27,-13.39,;6.62,-14.19,;6.91,-15.68,;8.36,-16.2,;9.52,-15.17,;9.23,-13.68,;7.78,-13.17,;6.59,-8.13,;5.23,-8.91,;5.27,-10.46,;3.91,-8.17,;2.56,-8.97,;1.07,-8.54,;-.34,-9.1,;-1.38,-7.84,;-1.38,-6.3,;.01,-5.72,;1.07,-6.94,;1.37,-6.2,;1.37,-7.69,;.04,-8.17,;9.27,-8.07,;9.23,-6.52,;10.81,-8.07,;11.55,-6.74,;13.09,-6.72,;13.84,-5.38,;13.06,-4.07,;13.8,-2.75,;15.35,-2.72,;16.1,-1.4,;16.12,-4.04,;15.36,-5.38,;11.55,-9.42,;13.1,-9.39,;13.9,-10.72,;13.87,-8.04,)|
Structure:
Search PDB for entries with ligand similarity: