BioLiP

PDB

BioLiP

PDB CCD ID:

ITR

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/h1-4,6,12-13H,5H2,(H,14,15)/b12-9-

InChIKey:

LKYWXXAVLLVJAS-XFXZXTDPSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(=[N@H])Cc2c1ccccc1nc2
CACTVS 3.341	OC(=O)C(=N)Cc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O

Name:

IMINO-TRYPTOPHAN

DrugBank:

DB02988

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).