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Ligand

NameCHEMBL140619
Molecular formulaC37H38ClN5O5S
IUPAC nameN-[2-[4-[[3-butyl-5-oxo-1-[3-(pentanoylamino)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide
Molecular weight700.251
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.2
SynonymsBDBM50035433
5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-2-[3-(valerylamino)phenyl]-3H-1,2,4-triazol-3-one
BJEMGANDAVKDDB-UHFFFAOYSA-N
Pentanoic acid (3-{3-butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-phenyl)-amide
SCHEMBL9141159
Inchi KeyBJEMGANDAVKDDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H38ClN5O5S/c1-3-5-18-34-40-43(29-13-11-12-28(24-29)39-35(44)19-6-4-2)37(46)42(34)25-26-20-22-27(23-21-26)30-14-8-10-17-33(30)49(47,48)41-36(45)31-15-7-9-16-32(31)38/h7-17,20-24H,3-6,18-19,25H2,1-2H3,(H,39,44)(H,41,45)
PubChem CID10484866
ChEMBLCHEMBL140619
IUPHARN/A
BindingDB50035433
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
25002Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
25001Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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