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BioLiP

PDB CCD ID: QYH
Number of entries in BioLiP: 2
Chemical formula: C11 H12 N4 O
InChI: InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
InChIKey: JVWGRSYEFVJHCX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)c2cc(nc(n2)N)N
CACTVS 3.385COc1ccc(cc1)c2cc(N)nc(N)n2
Name:6-(4-methoxyphenyl)pyrimidine-2,4-diamine
ChEMBL: CHEMBL2023701
ZINC: ZINC000000082261
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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