BioLiP

PDB

BioLiP

PDB CCD ID:

SZF

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	CN[CH](Cc1cn(OC)c2ccccc12)C(O)=O
OpenEye OEToolkits 2.0.7	CN[C@@H](Cc1cn(c2c1cccc2)OC)C(=O)O
OpenEye OEToolkits 2.0.7	CNC(Cc1cn(c2c1cccc2)OC)C(=O)O
CACTVS 3.385	CN[C@@H](Cc1cn(OC)c2ccccc12)C(O)=O
ACDLabs 12.01	O=C(O)C(NC)Cc1cn(OC)c2ccccc21

Name:

1-methoxy-N-methyl-L-tryptophan

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).