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BioLiP Library

PDB CCD ID: WOX
Number of entries in BioLiP: 4
Chemical formula: C19 H18 F2 N2 O2 S
InChI: InChI=1S/C19H18F2N2O2S/c1-12-6-9-26-17(12)16-10-19(25-22-16)7-3-8-23(18(19)24)11-13-14(20)4-2-5-15(13)21/h2,4-6,9H,3,7-8,10-11H2,1H3/t19-/m0/s1
InChIKey: GPXGFQYVEMPROU-IBGZPJMESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccsc1C2=NOC3(C2)CCCN(C3=O)Cc4c(cccc4F)F
CACTVS 3.385Cc1ccsc1C2=NO[C@@]3(CCCN(Cc4c(F)cccc4F)C3=O)C2
CACTVS 3.385Cc1ccsc1C2=NO[C]3(CCCN(Cc4c(F)cccc4F)C3=O)C2
OpenEye OEToolkits 2.0.7Cc1ccsc1C2=NO[C@]3(C2)CCCN(C3=O)Cc4c(cccc4F)F
Name:(5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one

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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