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BioLiP

PDB CCD ID: A1BLJ
Number of entries in BioLiP: 1
Chemical formula: C11 H11 Cl N4
InChI: InChI=1S/C11H11ClN4/c1-16(2)10-7-9(11(12)15-14-10)8-3-5-13-6-4-8/h3-7H,1-2H3
InChIKey: TXDDCILZWXYXEH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52CN(C)c1cc(c2ccncc2)c(Cl)nn1
CACTVS 3.385CN(C)c1cc(c(Cl)nn1)c2ccncc2
OpenEye OEToolkits 3.1.0.0CN(C)c1cc(c(nn1)Cl)c2ccncc2
Name:6-chloro-N,N-dimethyl-5-(pyridin-4-yl)pyridazin-3-amine
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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