BioLiP

PDB

BioLiP

PDB CCD ID:

A1A2Y

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O3

InChI:

InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1

InChIKey:

KVNPSKDDJARYKK-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
ACDLabs 14.52	O=C(O)C(N)Cc1c[NH]c2ccc(cc21)OC
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
CACTVS 3.385	COc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1

Name:

5-methoxy-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).