SEQ2FUN

BioLiP

PDB CCD ID: 6FB
Number of entries in BioLiP: 4
Chemical formula: C11 H8 N4
InChI: InChI=1S/C11H8N4/c12-11-14-6-9-3-8-5-13-2-1-7(8)4-10(9)15-11/h1-6H,(H2,12,14,15)
InChIKey: HTMYPIWEXZOFDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c1cnc(N)nc1cc3c2cncc3
CACTVS 3.385Nc1ncc2cc3cnccc3cc2n1
OpenEye OEToolkits 2.0.4c1cncc2c1cc3c(c2)cnc(n3)N
Name:pyrido[3,4-g]quinazolin-2-amine
ChEMBL: CHEMBL3823505
ZINC: ZINC000584904716
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).