BDBM212439 N-palmitoylglycine (NPG)
SMILES: CCCCCCCCCCCCCCCC(=O)NCC(O)=O
InChI Key: InChIKey=KVTFEOAKFFQCCX-UHFFFAOYSA-N
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 |
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Cytochrome P450 monooxygenase BM3 (BM3) (Bacillus megaterium) | BDBM212439 (N-palmitoylglycine (NPG)) | 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)) | 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)) | 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)) | 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) |