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BioLiP

PDB CCD ID: 53Y
Number of entries in BioLiP: 1
Chemical formula: C11 H8 N2 O
InChI: InChI=1S/C11H8N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-7H,(H,12,14)
InChIKey: LINHQLFBBDHSEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc-2c(c1)NC(=O)c3n2ccc3
ACDLabs 12.01c3cc2C(Nc1ccccc1n2c3)=O
CACTVS 3.385O=C1Nc2ccccc2n3cccc13
Name:pyrrolo[1,2-a]quinoxalin-4(5H)-one
ChEMBL: CHEMBL555751
ZINC: ZINC000000110639
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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