SEQ2FUN

BioLiP

PDB CCD ID: 150
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N2
InChI: InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3
InChIKey: XSZYBMMYQCYIPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1cc(N)c(N)cc1C
OpenEye OEToolkits 1.5.0Cc1cc(c(cc1C)N)N
ACDLabs 10.04Nc1cc(c(cc1N)C)C
Name:4,5-DIMETHYL-1,2-PHENYLENEDIAMINE
ChEMBL: CHEMBL1229654
DrugBank: DB03180
ZINC: ZINC000000153351
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).