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Ligand

NameCHEMBL329693
Molecular formulaC33H31F3N4O5S
IUPAC nameN-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,5-dimethylfuran-2-carboxamide
Molecular weight652.689
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP7.1
Synonyms4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (3,5-dimethyl-furan-2-carbonyl)-amide
BDBM50039899
N-[(3,5-Dimethyl-2-furanyl)carbonyl]-4'-[[[1-[2-(trifluoromethyl)phenyl]-3-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol]-4-yl]methyl]-1,1'-biphenyl-2-sulfonamide
Inchi KeyAOOWLKVDPNXOHY-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H31F3N4O5S/c1-4-5-14-29-37-40(27-12-8-7-11-26(27)33(34,35)36)32(42)39(29)20-23-15-17-24(18-16-23)25-10-6-9-13-28(25)46(43,44)38-31(41)30-21(2)19-22(3)45-30/h6-13,15-19H,4-5,14,20H2,1-3H3,(H,38,41)
PubChem CID10326942
ChEMBLCHEMBL329693
IUPHARN/A
BindingDB50039899
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10455Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
10456Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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