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BioLiP Library

PDB CCD ID: ZAE
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey: SCIFESDRCALIIM-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CNC(Cc1ccccc1)C(=O)O
OpenEye OEToolkits 1.5.0CN[C@H](Cc1ccccc1)C(=O)O
CACTVS 3.341CN[C@H](Cc1ccccc1)C(O)=O
CACTVS 3.341CN[CH](Cc1ccccc1)C(O)=O
ACDLabs 10.04O=C(O)C(NC)Cc1ccccc1
Name:N-methyl-D-phenylalanine
ZINC: ZINC000012954903
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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