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BioLiP

PDB CCD ID: LZ5
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N3 O
InChI: InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)
InChIKey: WMZYZYFPPQOFKY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc1ccccc1)c2nncc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)c2cc[nH]n2
CACTVS 3.341O=C(Nc1ccccc1)c2cc[nH]n2
Name:N-phenyl-1H-pyrazole-3-carboxamide
ChEMBL: CHEMBL445420
DrugBank: DB08135
ZINC: ZINC000005286379
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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