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BioLiP

PDB CCD ID: LTF
Number of entries in BioLiP: 2
Chemical formula: C15 H20 N2 O5
InChI: InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKey: DGGKRIGJIQRXQD-LLVKDONJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO
CACTVS 3.370CCCc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO
CACTVS 3.370CCCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO
OpenEye OEToolkits 1.7.6CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO
ACDLabs 12.01O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CCC
Name:(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
ChEMBL: CHEMBL107313
ZINC: ZINC000003821308
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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