Ki Summary

Reaction Details

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Target

Solute carrier family 22 member 2

Ligand

BDBM335503

Substrate/Competitor

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

More Info.:

Get all data from this article, Assay Method

Solute carrier family 22 member 2

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:

MPTTVDDVLEHGGEFHFFQKQMFFLLALLSATFAPIYVGIVFLGFTPDHRCRSPGVAELS
LRCGWSPAEELNYTVPGPGPAGEASPRQCRRYEVDWNQSTFDCVDPLASLDTNRSRLPLG
PCRDGWVYETPGSSIVTEFNLVCANSWMLDLFQSSVNVGFFIGSMSIGYIADRFGRKLCL
LTTVLINAAAGVLMAISPTYTWMLIFRLIQGLVSKAGWLIGYILITEFVGRRYRRTVGIF
YQVAYTVGLLVLAGVAYALPHWRWLQFTVSLPNFFFLLYYWCIPESPRWLISQNKNAEAM
RIIKHIAKKNGKSLPASLQRLRLEEETGKKLNPSFLDLVRTPQIRKHTMILMYNWFTSSV
LYQGLIMHMGLAGDNIYLDFFYSALVEFPAAFMIILTIDRIGRRYPWAASNMVAGAACLA
SVFIPGDLQWLKIIISCLGRMGITMAYEIVCLVNAELYPTFIRNLGVHICSSMCDIGGII
TPFLVYRLTNIWLELPLMVFGVLGLVAGGLVLLLPETKGKALPETIEEAENMQRPRKNKE
KMIYLQVQKLDIPLN

BDBM335503

n/a

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