BioLiP

PDB

BioLiP

PDB CCD ID:

V6W

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O4

InChI:

InChI=1S/C13H14N2O4/c14-10(13(18)19)5-8-6-15(7-12(16)17)11-4-2-1-3-9(8)11/h1-4,6,10H,5,7,14H2,(H,16,17)(H,18,19)/t10-/m0/s1

InChIKey:

NUIINCMATQEUSS-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](Cc1cn(CC(O)=O)c2ccccc12)C(O)=O
CACTVS 3.385	N[CH](Cc1cn(CC(O)=O)c2ccccc12)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(cn2CC(=O)O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(cn2CC(=O)O)C[C@@H](C(=O)O)N

Name:

NE-Acetyl-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).