SEQ2FUN

BioLiP

PDB CCD ID: U1E
Number of entries in BioLiP: 2
Chemical formula: C14 H18 N2
InChI: InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3
InChIKey: GJFNRSDCSTVPCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)c1cccc2c1c(ccc2)N(C)C
CACTVS 3.385CN(C)c1cccc2cccc(N(C)C)c12
Name:~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine
ChEMBL: CHEMBL1574733
ZINC: ZINC000000056476
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).