SEQ2FUN

BioLiP

PDB CCD ID: 2HH
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N4 O
InChI: InChI=1S/C10H10N4O/c1-14-9(4-6-12-14)10(15)13-8-3-2-5-11-7-8/h2-7H,1H3,(H,13,15)
InChIKey: LSEUGEFZKAZGSI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cn1c(ccn1)C(=O)Nc2cccnc2
ACDLabs 12.01O=C(Nc1cccnc1)c2ccnn2C
CACTVS 3.385Cn1nccc1C(=O)Nc2cccnc2
Name:1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
ChEMBL: CHEMBL1494030
ZINC: ZINC000000138552
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).