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BioLiP

PDB CCD ID: U4T
Number of entries in BioLiP: 2
Chemical formula: C13 H10 O2 S
InChI: InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)
InChIKey: IGBRCZHGFVMFCR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O
CACTVS 3.385OC(=O)c1sc2c(CCc3ccccc23)c1
Name:4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid;
4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid;
4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
ChEMBL: CHEMBL1421818
ZINC: ZINC000000069806
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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