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SMILES: Cn1sc(=O)c2cc(ccc12)S(N)(=O)=O

InChI Key: InChIKey=DFPYCCVFXMWMJM-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13072   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13072 (0134-36 | 1-methyl-3-oxo-1,3-dihydro-2,1-benzothia...) Show SMILES Cn1sc(=O)c2cc(ccc12)S(N)(=O)=O Show InChI InChI=1S/C8H8N2O3S2/c1-10-7-3-2-5(15(9,12)13)4-6(7)8(11)14-10/h2-4H,1H3,(H2,9,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	7.4	25
University of Marburg					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 45: 3588-602 (2002) Article DOI: 10.1021/jm011112j BindingDB Entry DOI: 10.7270/Q2RJ4GQP
					More data for this Ligand-Target Pair				3D Structure (crystal)