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BioLiP

PDB CCD ID: U5B
Number of entries in BioLiP: 1
Chemical formula: C14 H12 O2 S
InChI: InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16)
InChIKey: ILIYQPKGPUGGBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2
CACTVS 3.385OC(=O)CSc1ccc2CCc3cccc1c23
Name:2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid;
(Acenaphthen-5-ylsulfanyl)-acetic acid
ZINC: ZINC000003315933
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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