BioLiP

PDB

BioLiP

PDB CCD ID:

BRG

Number of entries in BioLiP:

Chemical formula:

C5 H4 Br N5 O

InChI:

InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)

InChIKey:

CRYCZDRIXVHNQB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=Nc2nc(Br)[nH]c2C(=O)N1
ACDLabs 10.04	O=C2NC(=Nc1nc(Br)nc12)N
OpenEye OEToolkits 1.5.0	c12c(nc([nH]1)Br)N=C(NC2=O)N

Name:

8-BROMOGUANINE

ZINC:

ZINC000001511379

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).