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BioLiP

PDB CCD ID: Q11
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4 O
InChI: InChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)9-6-7-11-12(8-9)18-15(17)19-14(11)16/h2-8H,1H3,(H4,16,17,18,19)
InChIKey: GZWYCJUKEDOCPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2COc1ccccc1c2ccc3c(c2)nc(nc3N)N
CACTVS 3.370COc1ccccc1c2ccc3c(N)nc(N)nc3c2
ACDLabs 12.01n3c1c(ccc(c1)c2ccccc2OC)c(nc3N)N
Name:7-(2-methoxyphenyl)quinazoline-2,4-diamine
ChEMBL: CHEMBL1818113
ZINC: ZINC000069137120
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).
  • 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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