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BioLiP

PDB CCD ID: US8
Number of entries in BioLiP: 1
Chemical formula: C16 H16 N2 O2 S
InChI: InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKey: XGQYGJKFUOSIIU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3
CACTVS 3.385CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
Name:2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide;
2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
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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