BioLiP

PDB

BioLiP

PDB CCD ID:

A1B7N

Number of entries in BioLiP:

Chemical formula:

C14 H12 N4 O3

InChI:

InChI=1S/C14H12N4O3/c1-7-5-9-10(6-8(7)2)18(3-4-19)12-11(15-9)13(20)17-14(21)16-12/h4-6H,3H2,1-2H3,(H,17,20,21)

InChIKey:

AUZWNAFEXXLJDA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC=O
ACDLabs 14.52 CACTVS 3.385	Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC=O)c2cc1C

Name:

(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)acetaldehyde

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).