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BioLiP

PDB CCD ID: LNX
Number of entries in BioLiP: 2
Chemical formula: C14 H12 O4 S
InChI: InChI=1S/C14H12O4S/c15-13(16)7-9-4-10(8-14(17)18)6-11(5-9)12-2-1-3-19-12/h1-6H,7-8H2,(H,15,16)(H,17,18)
InChIKey: KZPRFEGRESQBAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O
CACTVS 3.385OC(=O)Cc1cc(CC(O)=O)cc(c1)c2sccc2
ACDLabs 12.01C(C(O)=O)c1cc(cc(c1)c2cccs2)CC(=O)O
Name:2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid
ChEMBL: CHEMBL3809104
ZINC: ZINC000584905618
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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