SEQ2FUN

BioLiP

PDB CCD ID: 7W1
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3,(H2,11,12)
InChIKey: LHHFYJQGCWEYNA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(c(C)cnc2ccccc12)N
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1cnc2ccccc2c1N
Name:3-methylquinolin-4-amine
ChEMBL: CHEMBL4569418
ZINC: ZINC000006557114
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).