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BioLiP

PDB CCD ID: QGQ
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N3 O S
InChI: InChI=1S/C11H13N3OS/c1-7-4-11(13-6-12-7)16-5-10-8(2)14-15-9(10)3/h4,6H,5H2,1-3H3
InChIKey: ROKHJFVYDKKVDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(ncn1)SCc2c(noc2C)C
CACTVS 3.385Cc1onc(C)c1CSc2cc(C)ncn2
Name:3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
ChEMBL: CHEMBL5219547
ZINC: ZINC000011903004
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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