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BioLiP Library

PDB CCD ID: XQ0
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-5-7-3-2-6(11)4-8(7)10-9-5/h2-4,11H,1H3,(H,9,10)
InChIKey: WTNPPQUZRFSUQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1n[nH]c2cc(O)ccc12
OpenEye OEToolkits 1.7.0Cc1c2ccc(cc2[nH]n1)O
ACDLabs 12.01n2c(c1ccc(O)cc1n2)C
Name:3-METHYL-1H-INDAZOL-6-OL
ZINC: ZINC000036377918
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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