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BioLiP

PDB CCD ID: 64R
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O2
InChI: InChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)11-10(12)7(2)13-9/h3-5,7H,1-2H3,(H,11,12)/t7-/m1/s1
InChIKey: AUNQUXZPFSCXMN-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(C)ccc2c1NC(C(O2)C)=O
OpenEye OEToolkits 2.0.4Cc1ccc2c(c1)NC(=O)C(O2)C
CACTVS 3.385C[CH]1Oc2ccc(C)cc2NC1=O
CACTVS 3.385C[C@H]1Oc2ccc(C)cc2NC1=O
OpenEye OEToolkits 2.0.4Cc1ccc2c(c1)NC(=O)[C@H](O2)C
Name:(2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
ZINC: ZINC000004670166
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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