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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: NZ9
Number of entries in BioLiP: 8
Chemical formula: C8 H9 N O4 S2
InChI: InChI=1S/C8H9NO4S2/c10-8(11)7-6(3-4-14-7)15(12,13)9-5-1-2-5/h3-5,9H,1-2H2,(H,10,11)
InChIKey: LMYZTCQLGNOUQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(c1c(scc1)C(=O)O)NC2CC2
OpenEye OEToolkits 1.7.6c1csc(c1S(=O)(=O)NC2CC2)C(=O)O
CACTVS 3.370OC(=O)c1sccc1[S](=O)(=O)NC2CC2
Name:3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid
ZINC: ZINC000009494329

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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