SEQ2FUN

BioLiP

PDB CCD ID: K0M
Number of entries in BioLiP: 8
Chemical formula: C9 H10 N4 O2
InChI: InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14)
InChIKey: DMCIRIFKONIQNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccc(NC(=O)c2onc(C)c2)n1
ACDLabs 12.01N(c1nn(cc1)C)C(c2onc(C)c2)=O
OpenEye OEToolkits 2.0.6Cc1cc(on1)C(=O)Nc2ccn(n2)C
Name:3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
ZINC: ZINC000024475473
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).