Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070415
Substrate
n/a
Meas. Tech.
ChEMBL_40216 (CHEMBL653062)
Ki
19±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:
BDBM50070415
Synonyms:
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(2,4-difluoro-phenoxy)-pyrrolidine-2-carboxylic acid | CHEMBL30524
Type:
Small organic molecule
Emp. Form.:
C34H37F2N3O6
Mol. Mass.:
621.6709
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(F)cc1F |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,(18.68,-9.94,;18.7,-11.49,;18.71,-13.03,;17.93,-14.36,;16.39,-14.49,;16.04,-16,;17.38,-16.78,;17.67,-18.29,;19.12,-18.79,;20.27,-17.77,;19.98,-16.28,;18.54,-15.78,;17.35,-10.73,;16,-11.53,;16.04,-13.08,;14.67,-10.79,;13.33,-11.59,;11.84,-11.15,;11.85,-9.57,;10.79,-8.33,;9.41,-8.91,;9.41,-10.44,;10.44,-11.72,;10.82,-10.79,;12.14,-10.3,;12.14,-8.82,;20.02,-10.7,;20,-9.15,;21.56,-10.7,;22.46,-9.44,;23.92,-9.91,;23.92,-11.44,;22.47,-11.92,;21.99,-13.4,;23.04,-14.52,;20.5,-13.72,;25.18,-8.99,;26.58,-9.62,;26.75,-11.15,;28.16,-11.78,;29.41,-10.86,;30.81,-11.49,;29.23,-9.31,;27.82,-8.7,;27.65,-7.18,)|
Structure:
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