Reaction Details Report a problem with these data
Target
Glycine receptor subunit alpha-1
Ligand
BDBM50022889
Substrate
n/a
Meas. Tech.
ChEMBL_1474520 (CHEMBL3423809)
EC50
2500±n/a nM
Citation
 Wells, MM; Tillman, TS; Mowrey, DD; Sun, T; Xu, Y; Tang, P Ensemble-based virtual screening for cannabinoid-like potentiators of the human glycine receptora1 for the treatment of pain. J Med Chem 58:2958-66 (2015) [PubMed]  Article 
Target
Name:
Glycine receptor subunit alpha-1
Synonyms:
GLRA1 | GLRA1_HUMAN | Glycine receptor 48 kDa subunit | Glycine receptor strychnine-binding subunit
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52635.39
Organism:
Homo sapiens (Human)
Description:
P23415
Residue:
457
Sequence:
MYSFNTLRLYLWETIVFFSLAASKEAEAARSAPKPMSPSDFLDKLMGRTSGYDARIRPNFKGPPVNVSCNIFINSFGSIAETTMDYRVNIFLRQQWNDPRLAYNEYPDDSLDLDPSMLDSIWKPDLFFANEKGAHFHEITTDNKLLRISRNGNVLYSIRITLTLACPMDLKNFPMDVQTCIMQLESFGYTMNDLIFEWQEQGAVQVADGLTLPQFILKEEKDLRYCTKHYNTGKFTCIEARFHLERQMGYYLIQMYIPSLLIVILSWISFWINMDAAPARVGLGITTVLTMTTQSSGSRASLPKVSYVKAIDIWMAVCLLFVFSALLEYAAVNFVSRQHKELLRFRRKRRHHKSPMLNLFQEDEAGEGRFNFSAYGMGPACLQAKDGISVKGANNSNTTNPPPAPSKSPEEMRKLFIQRAKKIDKISRIGFPMAFLIFNMFYWIIYKIVRREDVHNQ
  
Inhibitor
Name:
BDBM50022889
Synonyms:
(2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-piperidin-2-yl)-methanol | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol( Mefloquine) | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol; (Mefloquine or MF) | (2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol | (S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-(R)-piperidin-2-yl-methanol | (S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol | (S)-(2,8-bis(trifluoromethyl)quinolin-4-yl)((R)-piperidin-2-yl)methanol | 2,8-di(trifluoromethyl)-4-quinolyl-hexahydro-2-pyridinylmethanol(Mefloquine) | 2-[(2,8-Bis-trifluoromethyl-quinolin-4-yl)-hydroxy-methyl]-piperidinium | CHEMBL416956 | GNF-Pf-5544 | Lariam | MEFLOQUINE | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | med.21724, Compound Mefloquine | melfoquine | rac-mefloquine | rel-(2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol
Type:
Small organic molecule
Emp. Form.:
C17H16F6N2O
Mol. Mass.:
378.3122
SMILES:
OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: