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BioLiP Library

PDB CCD ID: LNY
Number of entries in BioLiP: 1
Chemical formula: C17 H14 O5 S
InChI: InChI=1S/C17H14O5S/c18-5-1-2-14-3-4-15(23-14)13-7-11(9-16(19)20)6-12(8-13)10-17(21)22/h3-4,6-8,18H,5,9-10H2,(H,19,20)(H,21,22)
InChIKey: GUHLJLFVRKYNRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCC#Cc1sc(cc1)c2cc(CC(O)=O)cc(CC(O)=O)c2
OpenEye OEToolkits 2.0.4c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O
ACDLabs 12.01C(C(=O)O)c1cc(cc(c1)c2ccc(s2)C#CCO)CC(O)=O
Name:2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid
ChEMBL: CHEMBL3810161
ZINC: ZINC000584905616
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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