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Ligand

NameCHEMBL33155
Molecular formulaC32H31FN6O6S
IUPAC namemethyl N-[(4-fluorophenyl)-[3-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
Molecular weight646.694
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP3.3
SynonymsBDBM50089493
N-[4-[2-[[(R)-2-(3-Pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-[5-[alpha-(methoxycarbonylamino)-4-fluorobenzyl]-1,2,4-oxadiazole-3-yl]benzenesulfonamide
{(4-Fluoro-phenyl)-[3-(4-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylsulfamoyl}-phenyl)-[1,2,4]oxadiazol-5-yl]-methyl}-carbamic acid methyl ester
Inchi KeyAYNAFGSPQRKZFM-XLTVJXRZSA-N
Inchi IDInChI=1S/C32H31FN6O6S/c1-44-32(41)36-29(22-6-10-25(33)11-7-22)31-37-30(38-45-31)23-8-14-27(15-9-23)46(42,43)39-26-12-4-21(5-13-26)16-18-35-20-28(40)24-3-2-17-34-19-24/h2-15,17,19,28-29,35,39-40H,16,18,20H2,1H3,(H,36,41)/t28-,29?/m0/s1
PubChem CID44281408
ChEMBLCHEMBL33155
IUPHARN/A
BindingDB50089493
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17603Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
17605Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
17604Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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