Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSolute carrier family 22 member 2
LigandBDBM589186
Substrate/Competitorn/a
Meas. Tech.OCT2 Inhibition Assay
IC50 1357±n/a nM
Citation Bacon, EMCai, ZRChen, XCottell, JJDesai, MCJi, MJin, HLazerwith, SEMish, MRMorganelli, PAPyun, HTaylor, JGTrejo Martin, TA Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections US Patent US11548901 Publication Date 1/10/2023
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM589186
n/a
NameBDBM589186
Synonyms:US11548901, Compound 96
TypeSmall organic molecule
Emp. Form.C20H16F3N3O4
Mol. Mass.419.3539
SMILESOc1c2C(=O)N3C4CC(C4)C3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |(7.23,3.85,;7.23,2.31,;5.89,1.54,;4.56,2.31,;4.56,3.85,;3.23,1.54,;1.76,2.02,;.86,.77,;1.76,-.48,;2.07,.77,;3.23,,;4.56,-.77,;5.89,,;7.23,-.77,;8.56,,;9.89,-.77,;11.23,,;9.89,-2.31,;11.23,-3.08,;11.23,-4.62,;9.89,-5.39,;8.56,-4.62,;9.89,-6.93,;11.23,-7.7,;11.23,-9.24,;12.56,-6.93,;12.56,-5.39,;13.9,-4.62,;8.56,1.54,;9.89,2.31,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: