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BioLiP

PDB CCD ID: O9L
Number of entries in BioLiP: 2
Chemical formula: C18 H15 N5 O S
InChI: InChI=1S/C18H15N5OS/c1-2-12(10-19-5-1)18-21-14-4-3-13-16(17(14)24-18)22-15(11-20-13)23-6-8-25-9-7-23/h1-5,10-11H,6-9H2
InChIKey: ZJBIEWDRPAVJAY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CN(CCS1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5
OpenEye OEToolkits 3.1.0.0c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCSCC5
Name:2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline
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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