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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: GDY
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N O3 S2
InChI: InChI=1S/C16H13NO3S2/c18-15-14(22-16(19)17-15)10-11-3-5-12(6-4-11)20-8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,17,18,19)
InChIKey: NTKWOUHXDKSPIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC(=O)/C(S1)=C/c2ccc(OCCc3sccc3)cc2
CACTVS 3.385O=C1NC(=O)C(S1)=Cc2ccc(OCCc3sccc3)cc2
ACDLabs 12.01c1cc(ccc1OCCc2cccs2)[C@H]=C3C(NC(=O)S3)=O
OpenEye OEToolkits 2.0.6c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3
Name:(5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione

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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