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Ligand

NameCHEMBL498393
Molecular formulaC23H31N5O3S
IUPAC nameN-[4-(diaminomethylideneamino)butyl]-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
Molecular weight457.593
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.4
SynonymsN/A
Inchi KeyBUQXVFOLRIBODB-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N5O3S/c1-17-8-10-19(11-9-17)32(30,31)28-15-12-18-6-2-3-7-20(18)21(28)16-22(29)26-13-4-5-14-27-23(24)25/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,26,29)(H4,24,25,27)
PubChem CID24970440
ChEMBLCHEMBL498393
IUPHARN/A
BindingDBN/A
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
33284B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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