Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50045816
Substrate
n/a
Meas. Tech.
ChEBML_49880
Ki
37±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:
BDBM50045816
Synonyms:
CHEMBL319880 | {[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-[2-(2,4-dichloro-phenyl)-ethyl]-amino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C33H37Cl2N3O5
Mol. Mass.:
626.57
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=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:17.19,wD:21.28,19.20,23.26,TLB:25:21:24:16.17.18,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(25.85,-.15,;24.53,-.92,;23.2,-1.7,;23.22,-3.24,;24.13,-4.48,;23.22,-5.74,;21.75,-5.27,;20.4,-6.04,;19.07,-5.27,;19.07,-3.73,;20.4,-2.95,;21.75,-3.72,;23.03,-.52,;21.68,.25,;20.6,-.82,;21.3,1.74,;19.81,2.14,;18.07,2.14,;16.99,1.1,;15.73,1.74,;15.17,3.15,;16.29,4.2,;17.92,4.36,;18.49,2.94,;17.34,1.84,;17.51,3.43,;25.86,-1.69,;25.85,-3.23,;27.4,-1.69,;28.17,-.35,;29.71,-.35,;30.48,1,;29.7,2.31,;30.46,3.66,;32.01,3.66,;32.77,4.99,;32.79,2.31,;32.02,.98,;32.78,-.35,;28.17,-3.02,;29.71,-3.02,;30.48,-4.35,;30.48,-1.68,)|
Structure:
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