SEQ2FUN

BioLiP

PDB CCD ID: A1BVF
Number of entries in BioLiP: 6
Chemical formula: C9 H9 Cl N4 O
InChI: InChI=1S/C9H9ClN4O/c10-4-8-6-3-5(9(15)12-11)1-2-7(6)13-14-8/h1-3H,4,11H2,(H,12,15)(H,13,14)
InChIKey: CFZNRPPXQQDQFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NNC(=O)c1ccc2[nH]nc(CCl)c2c1
ACDLabs 14.52NNC(=O)c1cc2c(cc1)[NH]nc2CCl
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1C(=O)NN)c(n[nH]2)CCl
Name:3-(chloromethyl)-1H-indazole-5-carbohydrazide
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).