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BioLiP

PDB CCD ID: J2T
Number of entries in BioLiP: 4
Chemical formula: C13 H12 N6
InChI: InChI=1S/C13H12N6/c1-2-9-4-5-11(8-10(9)3-1)14-12-6-7-13-15-17-18-19(13)16-12/h4-8H,1-3H2,(H,14,16)
InChIKey: XUXHXRTXDKMOCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c(ccc2nnnn12)Nc3cc4c(cc3)CCC4
CACTVS 3.370C1Cc2ccc(Nc3ccc4nnnn4n3)cc2C1
OpenEye OEToolkits 1.7.6c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2
Name:N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine
ZINC: ZINC000008723457
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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