SEQ2FUN

BioLiP

PDB CCD ID: 6FD
Number of entries in BioLiP: 3
Chemical formula: C11 H9 N5
InChI: InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)
InChIKey: PQAQQDCVZZTPPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cncc2c1c(c3c(c2)cnc(n3)N)N
CACTVS 3.385Nc1ncc2cc3cnccc3c(N)c2n1
ACDLabs 12.01c2c1cnc(N)nc1c(c3c2cncc3)N
Name:pyrido[3,4-g]quinazoline-2,10-diamine
ChEMBL: CHEMBL3823483
ZINC: ZINC000584904811
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).