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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameAC1LRK1U
Molecular formulaC17H12ClN3O
IUPAC name8-chloro-2-methyl-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
Molecular weight309.753
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsMLS001214844
CHEMBL1426816
MolPort-000-766-001
MolPort-002-607-908
HMS2862G24
[ Show all ]
Inchi KeyAMLUHSWXJZOEPR-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H12ClN3O/c1-10-19-15-13-9-11(18)7-8-14(13)22-16(15)17(20-10)21-12-5-3-2-4-6-12/h2-9H,1H3,(H,19,20,21)
PubChem CID1398121
ChEMBLCHEMBL1426816
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
9032Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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