BioLiP

PDB

BioLiP

PDB CCD ID:

K25

Number of entries in BioLiP:

Chemical formula:

C9 H7 Br4 N3

InChI:

InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)

InChIKey:

SLPJGDQJLTYWCI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br
CACTVS 3.341	CN(C)c1[nH]c2c(Br)c(Br)c(Br)c(Br)c2n1
ACDLabs 10.04	Brc2c1nc(nc1c(Br)c(Br)c2Br)N(C)C

Name:

4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE;
DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE

ChEMBL:

CHEMBL376505

DrugBank:

DB04719

ZINC:

ZINC000008830553

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).