SEQ2FUN

BioLiP

PDB CCD ID: A1IKD
Number of entries in BioLiP: 2
Chemical formula: C23 H23 N5
InChI: InChI=1S/C23H23N5/c1-28(2)15-14-25-22-16-21(18-10-12-24-13-11-18)23(27-26-22)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,16H,14-15H2,1-2H3,(H,25,26)
InChIKey: UMAGLYLWSTVWQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)CCNc1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
OpenEye OEToolkits 2.0.7CN(C)CCNc1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4
Name:N',N'-dimethyl-N-(6-naphthalen-1-yl-5-pyridin-4-yl-pyridazin-3-yl)ethane-1,2-diamine;
N1,N1-dimethyl-N2-(6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-yl)ethane-1,2-diamine
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).