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BioLiP

PDB CCD ID: P8Z
Number of entries in BioLiP: 1
Chemical formula: C18 H25 N5 O
InChI: InChI=1S/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3
InChIKey: HONYBLSJNSYWKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C
CACTVS 3.385CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3
Name:2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one;
dimethyl-methylpiperazinyl-benzyl-aminopyridazinone
ChEMBL: CHEMBL4648548
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).
  • 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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