BioLiP

PDB

BioLiP

PDB CCD ID:

A1IMN

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3 O2

InChI:

InChI=1S/C12H11N3O2/c16-11-4-6-15(12(17)14-11)9-2-1-8-3-5-13-10(8)7-9/h1-3,5,7,13H,4,6H2,(H,14,16,17)

InChIKey:

RYEZBXXJPZGMGF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc2c1cc[nH]2)N3CCC(=O)NC3=O
CACTVS 3.385	O=C1CCN(C(=O)N1)c2ccc3cc[nH]c3c2

Name:

1-(1H-indol-6-yl)-1,3-diazinane-2,4-dione;
1-(1H-indol-6-yl)dihydro-2,4(1H,3H)-pyrimidinedione

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).