SEQ2FUN

BioLiP

PDB CCD ID: A1EHE
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2
InChIKey: XMIAFAKRAAMSGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c2cccnc2c1)N
CACTVS 3.385Nc1cccc2ncccc12
Name:quinolin-5-amine
ChEMBL: CHEMBL100194
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).