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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: DTQ
Number of entries in BioLiP: 6
Chemical formula: C16 H15 N3 O3
InChI: InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
InChIKey: BNDYIYYKEIXHNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
ACDLabs 10.04n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(O)c3
OpenEye OEToolkits 1.5.0COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O
Name:4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
ChEMBL: CHEMBL127907
DrugBank: DB03365
ZINC: ZINC000003828650

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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