SEQ2FUN

BioLiP

PDB CCD ID: M2K
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKey: LWXNHFZBFJMHGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1[nH]nc2CCCCc12
OpenEye OEToolkits 2.0.7C1CCc2c(c([nH]n2)C(=O)O)C1
Name:4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid
ChEMBL: CHEMBL338405
ZINC: ZINC000006529827

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).