SEQ2FUN

BioLiP

PDB CCD ID: 07K
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3,(H2,11,12)
InChIKey: TVZPXEZTWRAIID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1ccc(c2cccc(c12)C)N
OpenEye OEToolkits 1.7.2Cc1cccc2c1nccc2N
CACTVS 3.370Cc1cccc2c(N)ccnc12
Name:8-methylquinolin-4-amine
ZINC: ZINC000012462993
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).