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BioLiP

PDB CCD ID: LL1
Number of entries in BioLiP: 1
Chemical formula: C12 H9 N3
InChI: InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)
InChIKey: MSRXUUDVRNWSTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c(c1ccccc1n2)c3ccncc3
CACTVS 3.341[nH]1nc(c2ccncc2)c3ccccc13
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(n[nH]2)c3ccncc3
Name:3-pyridin-4-yl-1H-indazole
ChEMBL: CHEMBL1234032
DrugBank: DB08113
ZINC: ZINC000039132370
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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