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BioLiP

PDB CCD ID: LO4
Number of entries in BioLiP: 1
Chemical formula: C18 H23 N O3 S
InChI: InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,23H,2-4,9-12H2,1H3,(H,19,20,21)
InChIKey: VYHNBSGGAFFFLO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O
ACDLabs 12.01c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3)=O
CACTVS 3.385CC1(CCCCC1)COc2ccc(CC3=[SH]C(=O)NC3=O)cc2
Name:Ciglitazone;
5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-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)(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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