SEQ2FUN

BioLiP

PDB CCD ID: 34A
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N
InChI: InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
InChIKey: DOLQYFPDPKPQSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Nc1cc(c(cc1)C)C
OpenEye OEToolkits 1.5.0Cc1ccc(cc1C)N
CACTVS 3.341Cc1ccc(N)cc1C
Name:3,4-DIMETHYLANILINE
ChEMBL: CHEMBL1230039
DrugBank: DB03018
ZINC: ZINC000003860992
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).