BioLiP

PDB

BioLiP

PDB CCD ID:

K44

Number of entries in BioLiP:

Chemical formula:

C10 H7 Br4 N3

InChI:

InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3

InChIKey:

QHCZROILDUNGRT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Brc1c2nc3n(c2c(Br)c(Br)c1Br)CCN3C
OpenEye OEToolkits 1.5.0	C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br
CACTVS 3.341	CN1CCn2c1nc3c(Br)c(Br)c(Br)c(Br)c23
OpenEye OEToolkits 1.5.0	CN1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br

Name:

5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE;
N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE

DrugBank:

DB04721

ZINC:

ZINC000012504481

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).