SEQ2FUN

BioLiP

PDB CCD ID: SOJ
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2
InChI: InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
InChIKey: ATGUVEKSASEFFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(Nc2ccccc2)cc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)Nc2ccc(cc2)N
Name:~{N}4-phenylbenzene-1,4-diamine
ChEMBL: CHEMBL572203
ZINC: ZINC000000136186

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).