SEQ2FUN

BioLiP

PDB CCD ID: 3D7
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N4 O
InChI: InChI=1S/C9H10N4O/c1-13-5-7(4-12-13)6-2-8(10)9(14)11-3-6/h2-5H,10H2,1H3,(H,11,14)
InChIKey: ZGGRJKLRPVNTDT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		Cn1cc(cn1)C2=CNC(=O)C(=C2)N
ACDLabs 12.01O=C2NC=C(c1cn(nc1)C)C=C2N
Name:3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one
ChEMBL: CHEMBL4288628
ZINC: ZINC000230838197
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).