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Ligand

NameCHEMBL397084
Molecular formulaC22H30N2O5S2
IUPAC namebutyl N-[3-[4-(acetamidomethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight466.611
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50221311
N-butyloxycarbonyl-3-[4-(N-acetyl-aminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyHYRREAYQOGPFJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O5S2/c1-5-6-11-29-22(26)24-31(27,28)21-20(13-19(30-21)12-15(2)3)18-9-7-17(8-10-18)14-23-16(4)25/h7-10,13,15H,5-6,11-12,14H2,1-4H3,(H,23,25)(H,24,26)
PubChem CID9934254
ChEMBLCHEMBL397084
IUPHARN/A
BindingDB50221311
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
127305Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359

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