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BioLiP

PDB CCD ID: W35
Number of entries in BioLiP: 4
Chemical formula: C18 H22 N2 O3
InChI: InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3
InChIKey: IWZDYGHUSXWPPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3
ACDLabs 10.04N1=C(OCC1)c3ccc(OCCCCCc2onc(c2)C)cc3
CACTVS 3.341Cc1cc(CCCCCOc2ccc(cc2)C3=NCCO3)on1
Name:5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE;
WIN VI;
WIN 52035
ChEMBL: CHEMBL266800
DrugBank: DB08720
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)(download the PDF file).
  • 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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