SEQ2FUN

BioLiP

PDB CCD ID: 4FS
Number of entries in BioLiP: 6
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
InChIKey: SVNCRRZKBNSMIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cnc2ccccc2c1
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cc(cn2)N
ACDLabs 12.01c2c(N)cc1ccccc1n2
Name:quinolin-3-amine
ChEMBL: CHEMBL80298
ZINC: ZINC000000039224
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).