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BioLiP

PDB CCD ID: SZF
Number of entries in BioLiP: 0
Chemical formula: C13 H16 N2 O3
InChI: InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKey: WVNHXKXDYLJPPY-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN[CH](Cc1cn(OC)c2ccccc12)C(O)=O
OpenEye OEToolkits 2.0.7CN[C@@H](Cc1cn(c2c1cccc2)OC)C(=O)O
OpenEye OEToolkits 2.0.7CNC(Cc1cn(c2c1cccc2)OC)C(=O)O
CACTVS 3.385CN[C@@H](Cc1cn(OC)c2ccccc12)C(O)=O
ACDLabs 12.01O=C(O)C(NC)Cc1cn(OC)c2ccccc21
Name:1-methoxy-N-methyl-L-tryptophan

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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