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Ligand

NameCHEMBL160547
Molecular formulaC31H28ClN5O4S
IUPAC name2-[(2R)-7-chloro-1-naphthalen-2-ylsulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
Molecular weight602.106
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.7
Synonyms2-[(R)-7-Chloro-1-(naphthalene-2-sulfonyl)-3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl]-N-{2-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-ethyl}-acetamide
BDBM50156449
SCHEMBL5799816
Inchi KeyBVRFXIANOFPFCV-MUUNZHRXSA-N
Inchi IDInChI=1S/C31H28ClN5O4S/c32-24-10-12-26-27(18-24)37(42(40,41)25-11-9-21-3-1-2-4-23(21)17-25)28(31(39)36-26)19-29(38)33-14-13-20-5-7-22(8-6-20)30-34-15-16-35-30/h1-12,17-18,28H,13-16,19H2,(H,33,38)(H,34,35)(H,36,39)/t28-/m1/s1
PubChem CID11444808
ChEMBLCHEMBL160547
IUPHARN/A
BindingDB50156449
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33987B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
33986B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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