Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 2
Ligand
BDBM330042
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
10000±n/a nM
Citation
 Jin, H; Lazerwith, SE; Pyun, H; Bacon, EM; Morganelli, PA; Ji, M Substituted 2,3,4,5,7,9,13,13a-octahydropyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]OXAZEPINES and methods for treating viral infections US Patent  US9732092 Publication Date 8/15/2017 
Target
Name:
Solute carrier family 22 member 2
Synonyms:
OCT2 | Organic cation transporter 2 | S22A2_HUMAN | SLC22A2 | hOCT2
Type:
PROTEIN
Mol. Mass.:
62591.01
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1484077
Residue:
555
Sequence:
MPTTVDDVLEHGGEFHFFQKQMFFLLALLSATFAPIYVGIVFLGFTPDHRCRSPGVAELSLRCGWSPAEELNYTVPGPGPAGEASPRQCRRYEVDWNQSTFDCVDPLASLDTNRSRLPLGPCRDGWVYETPGSSIVTEFNLVCANSWMLDLFQSSVNVGFFIGSMSIGYIADRFGRKLCLLTTVLINAAAGVLMAISPTYTWMLIFRLIQGLVSKAGWLIGYILITEFVGRRYRRTVGIFYQVAYTVGLLVLAGVAYALPHWRWLQFTVSLPNFFFLLYYWCIPESPRWLISQNKNAEAMRIIKHIAKKNGKSLPASLQRLRLEEETGKKLNPSFLDLVRTPQIRKHTMILMYNWFTSSVLYQGLIMHMGLAGDNIYLDFFYSALVEFPAAFMIILTIDRIGRRYPWAASNMVAGAACLASVFIPGDLQWLKIIISCLGRMGITMAYEIVCLVNAELYPTFIRNLGVHICSSMCDIGGIITPFLVYRLTNIWLELPLMVFGVLGLVAGGLVLLLPETKGKALPETIEEAENMQRPRKNKEKMIYLQVQKLDIPLN
  
Inhibitor
Name:
BDBM330042
Synonyms:
(2S,5R,13aS)-N—((R)-1-(2,4-difluorophenyl)ethyl)-8-hydroxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide | US10689399, Compound 11 | US11548901, Compound 11 | US9663528, 11 | US9732092, Compound 11
Type:
Small organic molecule
Emp. Form.:
C22H21F2N3O5
Mol. Mass.:
445.416
SMILES:
C[C@@H](NC(=O)c1cn2C[C@@H]3O[C@H]4CC[C@H](C4)N3C(=O)c2c(O)c1=O)c1ccc(F)cc1F |THB:8:9:12.13:15,17:16:12.13:15|
Structure:
Search PDB for entries with ligand similarity: