BioLiP

PDB

BioLiP

PDB CCD ID:

TRY

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O2

InChI:

InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-

InChIKey:

HXAJMKJPBQFASJ-UITAMQMPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)c(c[nH]2)C=C(C(=O)O)N
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)c(c[nH]2)/C=C(/C(=O)O)\N
CACTVS 3.370	N\C(=C/c1c[nH]c2ccccc12)C(O)=O
ACDLabs 12.01	O=C(O)/C(N)=C/c2c1ccccc1nc2
CACTVS 3.370	NC(=Cc1c[nH]c2ccccc12)C(O)=O

Name:

(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid

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).