Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070412
Substrate
n/a
Meas. Tech.
ChEBML_40213
Ki
15±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:
BDBM50070412
Synonyms:
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(2,4-dichloro-phenoxy)-pyrrolidine-2-carboxylic acid | CHEMBL289021
Type:
Small organic molecule
Emp. Form.:
C34H37Cl2N3O6
Mol. Mass.:
654.58
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |wU:1.13,wD:32.38,30.41,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:19.18.25:21.22.23,15:16:25:21.23.20,(22.06,-1.42,;22.08,-2.96,;22.09,-4.51,;21.3,-5.84,;19.77,-5.96,;19.42,-7.48,;20.76,-8.25,;21.05,-9.76,;22.49,-10.27,;23.65,-9.25,;23.36,-7.76,;21.92,-7.25,;20.72,-2.2,;19.38,-3,;19.42,-4.55,;18.05,-2.26,;16.71,-3.06,;15.22,-2.62,;15.23,-1.04,;14.17,.19,;12.79,-.39,;12.79,-1.91,;13.82,-3.2,;14.2,-2.26,;15.52,-1.77,;15.52,-.29,;23.4,-2.17,;23.37,-.62,;24.94,-2.17,;25.84,-.91,;27.3,-1.38,;27.3,-2.91,;25.85,-3.39,;25.37,-4.87,;26.42,-6,;23.88,-5.19,;28.56,-.46,;29.96,-1.09,;30.13,-2.62,;31.54,-3.25,;32.79,-2.33,;34.19,-2.96,;32.61,-.78,;31.19,-.17,;31.03,1.35,)|
Structure:
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