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Ligand

NameCHEMBL122157
Molecular formulaC31H33BrFN5O6S
IUPAC nametert-butyl N-[2-[4-[[1-[2-bromo-5-(propanoylamino)phenyl]-3-ethyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate
Molecular weight702.596
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.3
SynonymsSCHEMBL9120438
BDBM50030723
N-{4-Bromo-3-[3-ethyl-4-(3-fluoro-2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-phenyl}-propionamide
Inchi KeyARZSHBUQUYOQDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33BrFN5O6S/c1-6-27-35-38(25-17-21(14-15-23(25)32)34-28(39)7-2)30(41)37(27)18-20-13-12-19(16-24(20)33)22-10-8-9-11-26(22)45(42,43)36-29(40)44-31(3,4)5/h8-17H,6-7,18H2,1-5H3,(H,34,39)(H,36,40)
PubChem CID10417321
ChEMBLCHEMBL122157
IUPHARN/A
BindingDB50030723
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
12944Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
12947Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359
12945Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363
12946Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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