SEQ2FUN

BioLiP

PDB CCD ID: BBW
Number of entries in BioLiP: 3
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3,(H2,10,11,12)
InChIKey: PTMKZYCUJHQJBN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccc2c(c1)ncnc2N
CACTVS 3.385Cc1ccc2c(N)ncnc2c1
Name:7-methylquinazolin-4-amine
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).