BDBM36301 2-Chlorophenol (2-CP)::2-chlorophenol

SMILES: Oc1ccccc1Cl

InChI Key: InChIKey=ISPYQTSUDJAMAB-UHFFFAOYSA-N

Data: 1 Kd  1 ITC

PDB links: 3 PDB IDs match 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 = 36301   

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
Pentachlorophenol hydroxylase (Sphingobium chlorophenolicum)	BDBM36301 (2-Chlorophenol (2-CP) | 2-chlorophenol) Show SMILES Oc1ccccc1Cl Show InChI InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
University of Colorado Boulder					Assay Description Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.				Biochemistry 51: 3848-60 (2012) Article DOI: 10.1021/bi300261p BindingDB Entry DOI: 10.7270/Q24T6H0M
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36301

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM36284	BDBM36301	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.67	n/a	n/a	4.90	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)