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BioLiP

PDB CCD ID: 3GF
Number of entries in BioLiP: 2
Chemical formula: C24 H23 N5
InChI: InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3
InChIKey: CIIVUDIZZJLXCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5
ACDLabs 12.01n4nc(c2cc1ccccc1cc2)c(c3ccncc3)cc4N5CCN(C)CC5
CACTVS 3.385CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
Name:6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
ChEMBL: CHEMBL4129018
ZINC: ZINC000218339051
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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