Ki Summary

Reaction Details

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Target

Solute carrier family 22 member 2

Ligand

BDBM335500

Substrate/Competitor

n/a

Meas. Tech.

Inhibition Assay

IC50

1357±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

BDBM335500

n/a

Name

BDBM335500

Synonyms:

(1R,3R,11aS)-6-hydroxy-5,7-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,5,7,11,11a-hexahydro-1H-1,3-methanopyrido[1,2-a]pyrrolo[1,2-d]pyrazine-8-carboxamide | US9732092, Compound 96

Type

Small organic molecule

Emp. Form.

C20H16F3N3O4

Mol. Mass.

419.3539

SMILES

Oc1c2C(=O)N3C4CC(C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,wU:10.11,TLB:3:5:7:9,THB:11:10:7:9,(-8.13,-20.84,;-8.13,-19.3,;-9.46,-18.53,;-10.8,-19.3,;-10.8,-20.84,;-12.13,-18.53,;-13.62,-18.54,;-14.71,-19.62,;-13.67,-16.99,;-14.76,-15.91,;-12.13,-16.99,;-10.8,-16.22,;-9.46,-16.99,;-8.13,-16.22,;-6.79,-16.99,;-5.46,-16.22,;-5.46,-14.68,;-4.13,-16.99,;-2.79,-16.22,;-1.46,-16.99,;-1.46,-18.53,;-2.79,-19.3,;-.13,-19.3,;1.21,-18.53,;2.54,-19.3,;1.21,-16.99,;-.13,-16.22,;-.13,-14.68,;-6.79,-18.53,;-5.46,-19.3,)|

Structure