Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 2
Ligand
BDBM335498
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:
BDBM335498
Synonyms:
(1S,3R,4R,12aR)-3-fluoro-7-hydroxy-6,8-dioxo-N-(2,4,6-trifluorobenzyl)-1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1′,2′-d]pyrazine-9-carboxamide | US9732092, Compound 82
Type:
Small organic molecule
Emp. Form.:
C21H17F4N3O4
Mol. Mass.:
451.371
SMILES:
Oc1c2C(=O)N3[C@@H]4C[C@@H](C[C@H]4F)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,TLB:3:5:7:9.10,11:10:7:5.12,THB:13:12:7:9.10|
Structure:
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