Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 2
Ligand
BDBM335503
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
450±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:
BDBM335503
Synonyms:
(1R,4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-dioxo-1,2,3,4,6,8,12,12a-octahydro-1,4-ethanodipyrido[1,2-a:1′,2′-d]pyrazine-9-carboxamide | US9732092, Compound 100
Type:
Small organic molecule
Emp. Form.:
C22H21F2N3O4
Mol. Mass.:
429.4166
SMILES:
Oc1c2C(=O)N3[C@@H]4CC[C@@H](CC4)[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |r,wU:12.13,9.8,wD:6.5,(-.3,26.21,;-.3,27.75,;-1.63,28.52,;-2.97,27.75,;-2.97,26.21,;-4.3,28.52,;-5.83,28.68,;-7.24,28.05,;-7.27,29.9,;-5.81,30.38,;-6.28,31.84,;-7.75,31.37,;-4.3,30.06,;-2.97,30.82,;-1.63,30.06,;-.3,30.83,;1.03,30.06,;2.37,30.83,;2.37,32.37,;3.7,30.06,;5.03,30.83,;6.12,29.74,;5.72,28.25,;6.81,27.16,;8.3,27.56,;9.39,26.47,;8.7,29.05,;7.61,30.14,;8.01,31.62,;1.03,28.52,;2.37,27.75,)|
Structure:
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