Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50045805
Substrate
n/a
Meas. Tech.
ChEBML_48413
Ki
14±n/a nM
Citation
 Blommaert, AG; Weng, JH; Dorville, A; McCort, I; Ducos, B; Durieux, C; Roques, BP Cholecystokinin peptidomimetics as selective CCK-B antagonists: design, synthesis, and in vitro and in vivo biochemical properties. J Med Chem 36:2868-77 (1993) [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:
BDBM50045805
Synonyms:
CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-phenyl)-ethyl]-2-(1H-indol-3-ylmethyl)-2-methyl-malonamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C33H36Cl2N2O5
Mol. Mass.:
611.555
SMILES:
CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)|
Structure:
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