SEQ2FUN

BioLiP

PDB CCD ID: Q8A
Number of entries in BioLiP: 2
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
InChIKey: WREVVZMUNPAPOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2cccnc2c(c1)N
CACTVS 3.370Nc1cccc2cccnc12
ACDLabs 12.01n1cccc2cccc(N)c12
Name:quinolin-8-amine
ChEMBL: CHEMBL99932
ZINC: ZINC000000105176
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).