BioLiP

PDB

BioLiP

PDB CCD ID:

T6U

Number of entries in BioLiP:

Chemical formula:

C8 H6 Br N3 O3

InChI:

InChI=1S/C8H6BrN3O3/c1-3-10-8(12-15-3)6-7(14)4(13)2-5(9)11-6/h2,14H,1H3,(H,11,13)

InChIKey:

VCOZTCCRJIGBLQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O
CACTVS 3.385	Cc1onc(n1)C2=C(O)C(=O)C=C(Br)N2
ACDLabs 12.01	OC1=C(NC(Br)=CC1=O)c1nc(C)on1

Name:

(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one

ChEMBL:

CHEMBL5289714

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).