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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 74U
Number of entries in BioLiP: 1
Chemical formula: C19 H15 N3 O
InChI: InChI=1S/C19H15N3O/c1-2-7-14(8-3-1)18-21-17-11-5-4-10-16(17)19(22-18)20-13-15-9-6-12-23-15/h1-12H,13H2,(H,20,21,22)
InChIKey: AZNLVBWSZDPKAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4
CACTVS 3.385C(Nc1nc(nc2ccccc12)c3ccccc3)c4occc4
ACDLabs 12.01c2(nc(NCc1ccco1)c3c(n2)cccc3)c4ccccc4
Name:N-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
ChEMBL: CHEMBL332686
ZINC: ZINC000000119346

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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