BioLiP

PDB

BioLiP

PDB CCD ID:

8MT

Number of entries in BioLiP:

Chemical formula:

C5 H4 Br2 N2 O S

InChI:

InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10)

InChIKey:

XYZOOBRFZARVRB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NNC(=O)c1sc(Br)c(Br)c1
OpenEye OEToolkits 2.0.6	c1c(c(sc1C(=O)NN)Br)Br

Name:

4,5-bis(bromanyl)thiophene-2-carbohydrazide

ZINC:

ZINC000001001353

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).