BioLiP

PDB

BioLiP

PDB CCD ID:

0UO

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O3

InChI:

InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1

InChIKey:

VYXPKRIKQJEAOO-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12
OpenEye OEToolkits 1.7.6	COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6	COc1cccc2c1c(c[nH]2)CC(C(=O)O)N
CACTVS 3.370	COc1cccc2[nH]cc(C[CH](N)C(O)=O)c12
ACDLabs 12.01	O=C(O)C(N)Cc2c1c(cccc1OC)nc2

Name:

4-methoxy-L-tryptophan

ZINC:

ZINC000034409357

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).