SEQ2FUN

BioLiP

PDB CCD ID: DDJ
Number of entries in BioLiP: 2
Chemical formula: C14 H16 N2 O2
InChI: InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
InChIKey: JRBJSXQPQWSCCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O(c1cc(ccc1N)c2ccc(N)c(OC)c2)C
OpenEye OEToolkits 1.7.6COc1cc(ccc1N)c2ccc(c(c2)OC)N
CACTVS 3.370COc1cc(ccc1N)c2ccc(N)c(OC)c2
Name:3,3'-dimethoxybiphenyl-4,4'-diamine;
o-Dianisidine
ChEMBL: CHEMBL398363
ZINC: ZINC000000056395
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).