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Ligand

NameCHEMBL1939764
Molecular formulaC24H27N3O5S
IUPAC nameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
Molecular weight469.556
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50362357
Inchi KeyCLGAUZZJHBJRJP-FOIFJWKZSA-N
Inchi IDInChI=1S/C24H27N3O5S/c1-16-6-10-19(11-7-16)33(30,31)27-13-12-25-24(29)22(27)15-23(28)26-21-5-3-4-17-8-9-18(32-2)14-20(17)21/h6-14,21-22H,3-5,15H2,1-2H3,(H,25,29)(H,26,28)/t21?,22-/m1/s1
PubChem CID57398979
ChEMBLCHEMBL1939764
IUPHARN/A
BindingDB50362357
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
44700B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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