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BioLiP

PDB CCD ID: VO9
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N O2 S
InChI: InChI=1S/C10H13NO2S/c12-6-5-11(8-3-4-8)10(13)9-2-1-7-14-9/h1-2,7-8,12H,3-6H2
InChIKey: SOFDWZUMJONKNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(sc1)C(=O)N(CCO)C2CC2
ACDLabs 12.01O=C(N(CCO)C1CC1)c1cccs1
CACTVS 3.385OCCN(C1CC1)C(=O)c2sccc2
Name:N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
ZINC: ZINC000036129980
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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