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BioLiP

PDB CCD ID: YJ7
Number of entries in BioLiP: 2
Chemical formula: C16 H15 N5 O3
InChI: InChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22)
InChIKey: ANFWBEUANIPNGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1cc2NC(=O)CN(c3nc(C)nc4onc(C)c34)c2cc1
OpenEye OEToolkits 2.0.7Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC
CACTVS 3.385COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4onc(C)c34
Name:4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
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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