SEQ2FUN

BioLiP

PDB CCD ID: M4A
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)
InChIKey: COCFIBRMFPWUDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1cc(c2ccccc2n1)N
CACTVS 3.370Cc1cc(N)c2ccccc2n1
ACDLabs 12.01n1c(cc(c2ccccc12)N)C
Name:2-methylquinolin-4-amine
ChEMBL: CHEMBL595536
ZINC: ZINC000000157475
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).