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Ligand

NameCHEMBL2018386
Molecular formulaC28H38F3N5O4
IUPAC nameN-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-2-(ethylcarbamoylamino)-5-(trifluoromethyl)benzamide
Molecular weight565.638
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP3.8
SynonymsBDBM50381177
SCHEMBL5126772
Inchi KeyWMOYUNWNZFLZJG-ZEQRLZLVSA-N
Inchi IDInChI=1S/C28H38F3N5O4/c1-5-7-24(37)23(15-32-14-19-9-8-17(3)12-18(19)4)35-25(38)16-34-26(39)21-13-20(28(29,30)31)10-11-22(21)36-27(40)33-6-2/h8-13,23-24,32,37H,5-7,14-16H2,1-4H3,(H,34,39)(H,35,38)(H2,33,36,40)/t23-,24-/m0/s1
PubChem CID10281316
ChEMBLCHEMBL2018386
IUPHARN/A
BindingDB50381177
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
377106C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
377107C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
377105C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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