SEQ2FUN

BioLiP

PDB CCD ID: GWG
Number of entries in BioLiP: 3
Chemical formula: C9 H9 N3 O
InChI: InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)
InChIKey: PVROETJHCUDAFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nc(C(N)=O)c2ccccc12
OpenEye OEToolkits 2.0.6Cn1c2ccccc2c(n1)C(=O)N
Name:1-methylindazole-3-carboxamide
ChEMBL: CHEMBL4554218
ZINC: ZINC000095348295
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).