SEQ2FUN

BioLiP

PDB CCD ID: ES5
Number of entries in BioLiP: 5
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2
InChIKey: RJSRSRITMWVIQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Nc1ccc2ncccc2c1
OpenEye OEToolkits 1.7.0c1cc2cc(ccc2nc1)N
Name:quinolin-6-amine
ChEMBL: CHEMBL99408
ZINC: ZINC000000163693
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).