SEQ2FUN

BioLiP

PDB CCD ID: PYZ
Number of entries in BioLiP: 37
Chemical formula: C3 H3 I N2
InChI: InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey: LLNQWPTUJJYTTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Ic1cnnc1
OpenEye OEToolkits 1.5.0c1c(cn[nH]1)I
CACTVS 3.341Ic1c[nH]nc1
Name:4-IODOPYRAZOLE
DrugBank: DB02721
ZINC: ZINC000002046962
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).