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Ligand

NameCHEMBL309922
Molecular formulaC30H38N4O3S
IUPAC name1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-benzylurea
Molecular weight534.719
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.4
SynonymsAC1L9YP7
1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-benzylurea
BDBM50104268
Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[(phenylmethyl)amino]carbonyl]amino]-1-piperidinyl]butyl]-
N-{4-[4-(3-Benzyl-ureido)-piperidin-1-yl]-2-phenyl-butyl}-N-methyl-benzenesulfonamide
[ Show all ]
Inchi KeyAARBZINJGYTIMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H38N4O3S/c1-33(38(36,37)29-15-9-4-10-16-29)24-27(26-13-7-3-8-14-26)17-20-34-21-18-28(19-22-34)32-30(35)31-23-25-11-5-2-6-12-25/h2-16,27-28H,17-24H2,1H3,(H2,31,32,35)
PubChem CID478440
ChEMBLCHEMBL309922
IUPHARN/A
BindingDB50104268
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
455C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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