BDBM212439 N-palmitoylglycine (NPG)

SMILES: CCCCCCCCCCCCCCCC(=O)NCC(O)=O

InChI Key: InChIKey=KVTFEOAKFFQCCX-UHFFFAOYSA-N

Data: 4 Kd

PDB links: 7 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 4 hits for monomerid = 212439   

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
Cytochrome P450 monooxygenase BM3 (BM3) (Bacillus megaterium)	BDBM212439 (N-palmitoylglycine (NPG)) Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(O)=O Show InChI InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	82	n/a	n/a	n/a	7.0	n/a
University of Manchester					Assay Description Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...				J Biol Chem 288: 25387-99 (2013) Article DOI: 10.1074/jbc.M113.479717 BindingDB Entry DOI: 10.7270/Q2SB44MF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 monooxygenase BM3 (BM3 DM) (Bacillus megaterium)	BDBM212439 (N-palmitoylglycine (NPG)) Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(O)=O Show InChI InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)	PDB GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	7.0	n/a
University of Manchester					Assay Description Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...				J Biol Chem 288: 25387-99 (2013) Article DOI: 10.1074/jbc.M113.479717 BindingDB Entry DOI: 10.7270/Q2SB44MF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 monooxygenase BM3 (BM3 F87V) (Bacillus megaterium)	BDBM212439 (N-palmitoylglycine (NPG)) Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(O)=O Show InChI InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)	PDB GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	204	n/a	n/a	n/a	7.0	n/a
University of Manchester					Assay Description Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...				J Biol Chem 288: 25387-99 (2013) Article DOI: 10.1074/jbc.M113.479717 BindingDB Entry DOI: 10.7270/Q2SB44MF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 monooxygenase BM3 (BM3 A82F) (Bacillus megaterium)	BDBM212439 (N-palmitoylglycine (NPG)) Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(O)=O Show InChI InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)	PDB GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	297	n/a	n/a	n/a	7.0	n/a
University of Manchester					Assay Description Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...				J Biol Chem 288: 25387-99 (2013) Article DOI: 10.1074/jbc.M113.479717 BindingDB Entry DOI: 10.7270/Q2SB44MF
					More data for this Ligand-Target Pair				3D Structure (crystal)