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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: 5ZU
Number of entries in BioLiP: 2
Chemical formula: C9 H8 N2 O2 S2
InChI: InChI=1S/C9H8N2O2S2/c10-9-11-7(8(12)13)6(15-9)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11)(H,12,13)
InChIKey: KALMSBPPQREWFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1sc(Cc2sccc2)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(sc1)Cc2c(nc(s2)N)C(=O)O
Name:2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid

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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