SEQ2FUN

BioLiP

PDB CCD ID: 51V
Number of entries in BioLiP: 3
Chemical formula: C7 H9 N
InChI: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
InChIKey: RNVCVTLRINQCPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(C)c(cc1)N
CACTVS 3.385
OpenEye OEToolkits 1.9.2		Cc1ccccc1N
Name:2-methylaniline;
o-Toluidine
ChEMBL: CHEMBL1381
ZINC: ZINC000001706910
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).