SEQ2FUN

BioLiP

PDB CCD ID: VC3
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N3 O2
InChI: InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-6-10-11-9/h1-6H,(H,10,11)
InChIKey: IPIYADCDDIUVPS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-]
CACTVS 3.341[O-][N+](=O)c1ccc(cc1)c2cc[nH]n2
ACDLabs 10.04[O-][N+](=O)c2ccc(c1nncc1)cc2
Name:3-(4-nitrophenyl)-1H-pyrazole
ChEMBL: CHEMBL264950
DrugBank: DB08695
ZINC: ZINC000003884177
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).