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BioLiP Library

PDB CCD ID: WPQ
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N O5 S
InChI: InChI=1S/C14H15NO5S/c1-2-20-14(19)10-6-7-21-12(10)15-11(16)8-4-3-5-9(8)13(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKey: RJIGDIKBHOJJOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(=O)O
ACDLabs 12.01CCOC(=O)c1ccsc1NC(=O)C=1CCCC=1C(=O)O
CACTVS 3.385CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(O)=O
Name:2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-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)(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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