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BioLiP

PDB CCD ID: W5I
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O4
InChI: InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m1/s1
InChIKey: XBBDACCLCFWBSI-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)[CH](N)Cc1ccc(O)c(O)c1
OpenEye OEToolkits 2.0.7COC(=O)[C@@H](Cc1ccc(c(c1)O)O)N
CACTVS 3.385COC(=O)[C@H](N)Cc1ccc(O)c(O)c1
OpenEye OEToolkits 2.0.7COC(=O)C(Cc1ccc(c(c1)O)O)N
Name:L-Dopa methyl ester;
methyl (2R)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate;
melevodopa;
levodopa methyl ester (LDME)
ZINC: ZINC000019861874
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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