SEQ2FUN

BioLiP

PDB CCD ID: M4N
Number of entries in BioLiP: 2
Chemical formula: C11 H11 N3 O
InChI: InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)
InChIKey: JNPCKQOIIRKYRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1cc(n[nH]1)c2ccccc2
CACTVS 3.385CNC(=O)c1[nH]nc(c1)c2ccccc2
Name:~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide
ChEMBL: CHEMBL1995916
ZINC: ZINC000016957908
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).