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BioLiP

PDB CCD ID: NT0
Number of entries in BioLiP: 2
Chemical formula: C23 H19 N3 O2
InChI: InChI=1S/C23H19N3O2/c27-22(15-19-12-7-13-28-19)26-23-20(14-17-8-3-1-4-9-17)25-21(16-24-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,26,27)
InChIKey: SGNAEEQPPHGYPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)Cc4ccco4
Name:N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide;
2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide
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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