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BioLiP

PDB CCD ID: W41
Number of entries in BioLiP: 2
Chemical formula: C4 H2 Cl N5
InChI: InChI=1S/C4H2ClN5/c5-3-1-2-4-6-8-9-10(4)7-3/h1-2H
InChIKey: RRBQGBYFXZPPAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc2nnnn2n1
ACDLabs 12.01n2nc1n(nc(Cl)cc1)n2
OpenEye OEToolkits 2.0.7c1cc(nn2c1nnn2)Cl
Name:6-chlorotetrazolo[1,5-b]pyridazine
ZINC: ZINC000001435441
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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