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BioLiP

PDB CCD ID: VPK
Number of entries in BioLiP: 2
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)
InChIKey: YLRSARVOZNPQKX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCOC(=O)Nc1cccnc1
ACDLabs 12.01O=C(OCC)Nc1cccnc1
Name:ethyl pyridin-3-ylcarbamate
ZINC: ZINC000001668824
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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