SEQ2FUN

BioLiP

PDB CCD ID: A1B02
Number of entries in BioLiP: 1
Chemical formula: C13 H12 N4 O2
InChI: InChI=1S/C13H12N4O2/c1-17-6-9-3-2-4-11(13(9)16-17)15-12(18)5-10-7-19-8-14-10/h2-4,6-8H,5H2,1H3,(H,15,18)
InChIKey: YEAWWZXWMQIDNB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc2cccc(NC(=O)Cc3cocn3)c2n1
ACDLabs 14.52O=C(Nc1cccc2cn(C)nc21)Cc1cocn1
OpenEye OEToolkits 3.1.0.0Cn1cc2cccc(c2n1)NC(=O)Cc3cocn3
Name:N-(2-methyl-2H-indazol-7-yl)-2-(1,3-oxazol-4-yl)acetamide
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).