SEQ2FUN

BioLiP

PDB CCD ID: YJW
Number of entries in BioLiP: 2
Chemical formula: C16 H13 N O3
InChI: InChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3
InChIKey: KARJVPOSIFHKDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1onc(c2ccc(O)cc2O)c1c3ccccc3
ACDLabs 12.01Oc3cc(O)c(c1noc(c1c2ccccc2)C)cc3
OpenEye OEToolkits 1.7.2Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3
Name:4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL
ChEMBL: CHEMBL1917723
ZINC: ZINC000073196871
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).