SEQ2FUN

BioLiP

PDB CCD ID: 86Q
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N3
InChI: InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14)
InChIKey: QKVREUJWFZJEJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cc2CCc3ccccc3c2nn1
OpenEye OEToolkits 2.0.7c1ccc-2c(c1)CCc3c2nnc(c3)N
Name:5,6-Dihydro-benzo[H]cinnolin-3-ylamine
DrugBank: DB04069
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).