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Ligand

NameCHEMBL387161
Molecular formulaC30H30N4O4S
IUPAC name4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]-N-phenylpiperidine-1-carboxamide
Molecular weight542.654
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM50203880
4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid phenylamide
Inchi KeyKHXFJRHIHZXAEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30N4O4S/c1-21-9-5-6-12-24(21)29(35)32-27-15-16-28(26-14-8-7-13-25(26)27)39(37,38)33-23-17-19-34(20-18-23)30(36)31-22-10-3-2-4-11-22/h2-16,23,33H,17-20H2,1H3,(H,31,36)(H,32,35)
PubChem CID16105890
ChEMBLCHEMBL387161
IUPHARN/A
BindingDB50203880
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
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GLASS IDNameUniProtGeneSpeciesLength
169553C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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