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BioLiP

PDB CCD ID: LDS
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N3 O2
InChI: InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
InChIKey: QLRHMFFHGZFFID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1ccc(NC(=O)c2cnccn2)cc1
OpenEye OEToolkits 2.0.6CCOc1ccc(cc1)NC(=O)c2cnccn2
ACDLabs 12.01n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2
Name:N-(4-ethoxyphenyl)pyrazine-2-carboxamide
ChEMBL: CHEMBL1498470
ZINC: ZINC000000418316
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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