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BioLiP

PDB CCD ID: 041
Number of entries in BioLiP: 8
Chemical formula: C15 H10 F N O3
InChI: InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2
InChIKey: MQIMZDXIAHJKQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O
ACDLabs 10.04Fc3c(O)ccc(c1nc2cc(O)cc(c2o1)\C=C)c3
CACTVS 3.341Oc1cc(C=C)c2oc(nc2c1)c3ccc(O)c(F)c3
Name:2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL
ChEMBL: CHEMBL450940
DrugBank: DB06832
ZINC: ZINC000003817763
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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