Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50045821
Substrate
n/a
Meas. Tech.
ChEBML_49880
Ki
543±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:
CCK-2 receptor | CCK-B receptor | CCK-BR | CCKBR | CCKRB | Cholecystokinin A | Cholecystokinin receptor | Cholecystokinin-2 Receptor | GASR_HUMAN | Gastrin/cholecystokinin type B receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
48445.79
Organism:
Homo sapiens (Human)
Description:
Stable expression of human CCK-2 receptors in HEK 293 cells.
Residue:
447
Sequence:
MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50045821
Synonyms:
CHEMBL320823 | {[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-phenethyl-amino}-acetic acid ethyl ester
Type:
Small organic molecule
Emp. Form.:
C35H43N3O5
Mol. Mass.:
585.733
SMILES:
CCOC(=O)CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:40.42,wD:38.41,36.45,34.47,TLB:32:33:35:38.42.37,THB:41:36:33.40.39:42,39:40:35:38.42.37,39:38:33.40.41:35,(19.72,-14.24,;18.95,-12.91,;17.41,-12.91,;16.64,-11.58,;17.41,-10.24,;15.1,-11.58,;14.33,-10.25,;15.1,-8.91,;16.64,-8.91,;17.41,-7.57,;18.93,-7.58,;19.72,-6.25,;18.93,-4.91,;17.39,-4.92,;16.62,-6.25,;12.79,-10.25,;12.79,-11.79,;11.46,-9.48,;12.79,-8.71,;10.13,-10.27,;10.13,-11.81,;11.04,-13.04,;10.15,-14.3,;8.68,-13.84,;7.33,-14.61,;6,-13.84,;6,-12.3,;7.33,-11.51,;8.66,-12.28,;9.95,-9.08,;8.62,-8.31,;7.52,-9.39,;8.22,-6.82,;6.73,-6.42,;5.4,-5.62,;4.84,-4.21,;3.2,-4.36,;2.08,-5.41,;2.64,-6.82,;3.92,-7.47,;4.99,-6.42,;4.42,-5.13,;4.25,-6.73,)|
Structure:
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