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Ligand

NameCHEMBL246043
Molecular formulaC29H36N2O5S2
IUPAC namebutyl N-[3-[4-[(N-acetyl-4-methylanilino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight556.736
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50221322
N-butyloxycarbonyl-3-[4-(N-acetyl-N-p-tolylaminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyKJZJFEAOMOZVIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N2O5S2/c1-6-7-16-36-29(33)30-38(34,35)28-27(18-26(37-28)17-20(2)3)24-12-10-23(11-13-24)19-31(22(5)32)25-14-8-21(4)9-15-25/h8-15,18,20H,6-7,16-17,19H2,1-5H3,(H,30,33)
PubChem CID11387363
ChEMBLCHEMBL246043
IUPHARN/A
BindingDB50221322
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
170949Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359

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