SEQ2FUN

BioLiP

PDB CCD ID: 38B
Number of entries in BioLiP: 2
Chemical formula: C13 H11 N3 O3
InChI: InChI=1S/C13H11N3O3/c1-7-14-12(17)10-11(16-19-13(10)15-7)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,15,17)
InChIKey: XCLPDGVIHJQQOR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2NC(=Nc1onc(c12)c3ccccc3OC)C
OpenEye OEToolkits 1.9.2CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1
CACTVS 3.385COc1ccccc1c2noc3N=C(C)NC(=O)c23
Name:3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one
ChEMBL: CHEMBL4778111
ZINC: ZINC000103525425
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).