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Ligand

NameCHEMBL444431
Molecular formulaC30H32Cl2N4O5S
IUPAC name2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[(4R)-7-[(2-methylpropylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
Molecular weight631.569
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.5
SynonymsBDBM50272450
2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-((R)-7-((isobutylamino)methyl)chroman-4-yl)acetamide
Inchi KeyAWFUWJTWCMQPFQ-SHQCIBLASA-N
Inchi IDInChI=1S/C30H32Cl2N4O5S/c1-18(2)16-33-17-19-7-9-21-24(11-12-41-28(21)13-19)34-29(37)15-27-30(38)35-25-5-3-4-6-26(25)36(27)42(39,40)20-8-10-22(31)23(32)14-20/h3-10,13-14,18,24,27,33H,11-12,15-17H2,1-2H3,(H,34,37)(H,35,38)/t24-,27-/m1/s1
PubChem CID44587184
ChEMBLCHEMBL444431
IUPHARN/A
BindingDB50272450
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
15982B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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