SEQ2FUN

BioLiP

PDB CCD ID: M2B
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N4 O
InChI: InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-13-14(9)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,15)
InChIKey: UBKSUPKIDNXMMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1cnn(c2ccccc2)c1N
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2c(c(cn2)C(=O)N)N
Name:5-Amino-1-Phenylpyrazole-4-Carboxamide
ChEMBL: CHEMBL4544218
ZINC: ZINC000000127913
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).