SEQ2FUN

BioLiP

PDB CCD ID: M5K
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,11,12)
InChIKey: LAKQBTPNPXHTNB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(N)nc2ccccc12
OpenEye OEToolkits 1.7.6Cc1cc(nc2c1cccc2)N
Name:4-METHYLQUINOLIN-2-AMINE
ChEMBL: CHEMBL2011275
ZINC: ZINC000001646696
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).