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Ligand

NameCHEMBL311160
Molecular formulaC36H35F2N5O5S
IUPAC name4-ethyl-N-[2-[4-[[2-ethyl-4-oxo-6-(propan-2-ylcarbamoylamino)quinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide
Molecular weight687.763
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.7
SynonymsBDBM50283312
4''-[2-Ethyl-6-(3-isopropyl-ureido)-4-oxo-4H-quinazolin-3-ylmethyl]-3''-fluoro-biphenyl-2-sulfonic acid 4-ethyl-2-fluoro-benzoylamide
Inchi KeyFRKWBPZUTQTJCZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H35F2N5O5S/c1-5-22-11-15-27(30(38)17-22)34(44)42-49(47,48)32-10-8-7-9-26(32)23-12-13-24(29(37)18-23)20-43-33(6-2)41-31-16-14-25(19-28(31)35(43)45)40-36(46)39-21(3)4/h7-19,21H,5-6,20H2,1-4H3,(H,42,44)(H2,39,40,46)
PubChem CID44315351
ChEMBLCHEMBL311160
IUPHARN/A
BindingDB50283312
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
85493Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
85496Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359
85494Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363
85495Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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