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Ligand

NameCHEMBL334300
Molecular formulaC33H38ClN5O6S
IUPAC nametert-butyl N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate
Molecular weight668.206
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.0
SynonymsSCHEMBL9399946
BDBM50030713
N-[4-Chloro-3-[[3-butyl-4,5-dihydro-5-oxo-4-[[2'-[(tert-butoxycarbonyl)sulfamoyl]biphenyl-4-yl]methyl]-1H-1,2,4-triazol]-1-yl]phenyl]propanamide
5-n-Butyl-4-[[2''-[N-(tert-butoxycarbonyl)sulfamoyl]biphenyl-4yl]methyl]-2-[2-chloro-5-(propionylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
N-{3-[3-Butyl-5-oxo-4-(2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-4,5-dihydro-[1,2,4]triazol-1-yl]-4-chloro-phenyl}-propionamide
Inchi KeyBRBKSPFRJQPDPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
PubChem CID10100951
ChEMBLCHEMBL334300
IUPHARN/A
BindingDB50030713
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30848Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
30850Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359
30847Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363
30849Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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