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BioLiP

PDB CCD ID: MT6
Number of entries in BioLiP: 3
Chemical formula: C15 H11 N O4
InChI: InChI=1S/C15H11NO4/c1-19-15(18)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8H,1H3,(H,16,17)
InChIKey: OVTGPKXYLOQTEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c3c(c1cc2c(o1)C=CNC2=O)cccc3C(=O)OC
CACTVS 3.385COC(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
OpenEye OEToolkits 1.9.2COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O
Name:methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate
ZINC: ZINC000263620866
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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