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Ligand

NameCHEMBL2088386
Molecular formulaC31H41F3N4O3S
IUPAC nameN-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide
Molecular weight606.749
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50391021
SCHEMBL3424627
Inchi KeyARQRVZLTAYIRAS-ZEVJAHDQSA-N
Inchi IDInChI=1S/C31H41F3N4O3S/c1-19(2)15-21-9-12-24(13-10-21)42(40,41)18-22-16-23(38(5)20(3)4)11-14-26(22)36-29(39)17-28-35-27-8-6-7-25(30(27)37-28)31(32,33)34/h6-10,12-13,19-20,22-23,26H,11,14-18H2,1-5H3,(H,35,37)(H,36,39)/t22-,23+,26-/m0/s1
PubChem CID11273475
ChEMBLCHEMBL2088386
IUPHARN/A
BindingDB50391021
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12679C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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