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Ligand

NameCHEMBL403491
Molecular formulaC28H30F4N4O3S
IUPAC nameN-[(1R)-1-[1-(4-cyanophenyl)-4-propan-2-ylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
Molecular weight578.627
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50371509
SCHEMBL13151153
Inchi KeyBIOIJKGVXPTLRF-LJQANCHMSA-N
Inchi IDInChI=1S/C28H30F4N4O3S/c1-5-40(38,39)13-12-35(26(37)15-21-8-11-24(29)23(14-21)28(30,31)32)19(4)27-34-25(18(2)3)17-36(27)22-9-6-20(16-33)7-10-22/h6-11,14,17-19H,5,12-13,15H2,1-4H3/t19-/m1/s1
PubChem CID44455542
ChEMBLCHEMBL403491
IUPHARN/A
BindingDB50371509
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24611C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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