SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C4 H4 Br N3 O2

InChI:

InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)

InChIKey:

FSLBEEVCUZFKRL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	BrC=1C(=O)NC(=O)NC=1N
CACTVS 3.341	NC1=C(Br)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0	C1(=C(NC(=O)NC1=O)N)Br

Name:

6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione;
6-amino-5-bromopyrimidine-2,4(1H,3H)-dione

ChEMBL:

ZINC:

ZINC000000967243

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).