SEQ2FUN

BioLiP

PDB CCD ID: B0I
Number of entries in BioLiP: 0
Chemical formula: C14 H14
InChI: InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKey: GVEDOIATHPCYGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc(c1)c2cccc(C)c2
ACDLabs 12.01Cc2cc(c1cc(C)ccc1)ccc2
OpenEye OEToolkits 2.0.6Cc1cccc(c1)c2cccc(c2)C
Name:3,3'-dimethyl-1,1'-biphenyl
ZINC: ZINC000001689951
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).