BioLiP

PDB

BioLiP

PDB CCD ID:

A1L7B

Number of entries in BioLiP:

Chemical formula:

C13 H9 Br N4 O3

InChI:

InChI=1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/b16-6+

InChIKey:

SEGCNGONCZQFDW-OMCISZLKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)nc2
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2cnc(o2)/C=N/N3CC(=O)NC3=O)Br
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2cnc(o2)C=NN3CC(=O)NC3=O)Br
CACTVS 3.385	Brc1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)nc2

Name:

Azumolene

ChEMBL:

CHEMBL315108

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).