SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H10 Br2 O2

InChI:

InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3

InChIKey:

GHHZELQYJPWSMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	BrC1=C(C(=O)C(Br)=C(C1=O)C(C)C)C
CACTVS 3.341	CC(C)C1=C(Br)C(=O)C(=C(Br)C1=O)C
OpenEye OEToolkits 1.5.0	CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br

Name:

2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE;
2,5-DIBROMO-3-METHYL-6-ISOPROPYLBENZOQUINONE;
DBMIB

ChEMBL:

DrugBank:

ZINC:

ZINC000002011646

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).