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Ligand

NameCHEMBL3658280
Molecular formulaC28H31FN2O3S
IUPAC name6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight494.625
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.0
SynonymsBDBM150907
US8981106, 96
Inchi KeyBSXTUGSGUSTNOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31FN2O3S/c1-27(2,3)21-13-18(14-22(25(21)33)28(4,5)6)23(32)16-35-24-12-7-17(15-30-24)26(34)31-20-10-8-19(29)9-11-20/h7-15,33H,16H2,1-6H3,(H,31,34)
PubChem CID91937273
ChEMBLCHEMBL3658280
IUPHARN/A
BindingDB150907
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459501C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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