SEQ2FUN

BioLiP

PDB CCD ID: 51S
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N
InChI: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
InChIKey: CZZZABOKJQXEBO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(cc(C)c(cc1)N)C
OpenEye OEToolkits 1.9.2Cc1ccc(c(c1)C)N
CACTVS 3.385Cc1ccc(N)c(C)c1
Name:2,4-dimethylaniline
ChEMBL: CHEMBL1490826
ZINC: ZINC000000900690
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).