SEQ2FUN

BioLiP

PDB CCD ID: 1LM
Number of entries in BioLiP: 3
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)
InChIKey: FQYRLEXKXQRZDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ccn2)N
ACDLabs 12.01n1ccc(c2ccccc12)N
CACTVS 3.370Nc1ccnc2ccccc12
Name:quinolin-4-amine
ChEMBL: CHEMBL58146
ZINC: ZINC000004202478
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).