BioLiP

PDB

BioLiP

PDB CCD ID:

LFN

Number of entries in BioLiP:

Chemical formula:

C13 H12 N4 O2

InChI:

InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)

InChIKey:

KPDQZGKJTJRBGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C
CACTVS 3.341	CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13
ACDLabs 10.04	O=C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C

Name:

LUMIFLAVIN;
7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE

ChEMBL:

CHEMBL1233985

DrugBank:

DB04726

ZINC:

ZINC000000391159

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).