BioLiP

PDB

BioLiP

PDB CCD ID:

BCP

Number of entries in BioLiP:

Chemical formula:

C5 H2 Br Cl N4

InChI:

InChI=1S/C5H2BrClN4/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H,8,9,10,11)

InChIKey:

VLGHYTLGJNPTEN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)nc(nc2Cl)Br
CACTVS 3.341	Clc1nc(Br)nc2nc[nH]c12
ACDLabs 10.04	Clc1nc(Br)nc2ncnc12

Name:

2-BROMO-6-CHLORO-PURINE

DrugBank:

DB01706

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).