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Ligand

NameCHEMBL311386
Molecular formulaC34H40FN5O6S
IUPAC nameN-[2-[4-[[2-ethyl-6-[[methyl(propan-2-yl)carbamoyl]amino]-4-oxoquinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-(2-methylpropoxy)acetamide
Molecular weight665.781
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50283307
4''-[2-Ethyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-4H-quinazolin-3-ylmethyl]-3''-fluoro-biphenyl-2-sulfonic acid (2-isobutoxy-acetyl)-amide
Inchi KeyBAECZQGANVQWAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-34(43)39(6)22(4)5)17-27(29)33(42)40(31)18-24-13-12-23(16-28(24)35)26-10-8-9-11-30(26)47(44,45)38-32(41)20-46-19-21(2)3/h8-17,21-22H,7,18-20H2,1-6H3,(H,36,43)(H,38,41)
PubChem CID44315344
ChEMBLCHEMBL311386
IUPHARN/A
BindingDB50283307
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18765Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
18767Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359
18764Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363
18766Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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