Reaction Details Report a problem with these data
Target
Nitric oxide synthase, endothelial
Ligand
BDBM21961
Substrate
BDBM21959
Meas. Tech.
NOS Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
303.15±n/a K
Ki
72000±n/a nM
Km
1700±n/a nM
Citation
Seo, J; Igarashi, J; Li, H; Martasek, P; Roman, LJ; Poulos, TL; Silverman, RB Structure-based design and synthesis of N(omega)-nitro-L-arginine-containing peptidomimetics as selective inhibitors of neuronal nitric oxide synthase. Displacement of the heme structural water. J Med Chem 50:2089-99 (2007) [PubMed] Article
Target
Name:
Nitric oxide synthase, endothelial
Synonyms:
Constitutive NOS | Endothelial NOS | Endothelial nitric oxide synthase | Endothelial nitric-oxide synthase (eNOS) | NOS type III | NOS3 | NOS3_BOVIN | Nitric oxide synthase, endothelial (eNOS) | Nitric-oxide synthase, endothelial | cNOS
Type:
Enzyme
Mol. Mass.:
133292.26
Organism:
Bos taurus (bovine)
Description:
Recombinant eNOS overexpressed in E. coli was used in enzyme assays.
Residue:
1205
Sequence:
MGNLKSVGQEPGPPCGLGLGLGLGLCGKQGPASPAPEPSRAPAPATPHAPDHSPAPNSPTLTRPPEGPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRCCLGSLVLPRKLQTRPSPGPPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQPDPWKGSATKGAGITRKKTFKEVANAVKISASLMGTLMAKRVKATILYASETGRAQSYAQQLGRLFRKAFDPRVLCMDEYDVVSLEHEALVLVVTSTFGNGDPPENGESFAAALMEMSGPYNSSPRPEQHKSYKIRFNSVSCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHFCAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAKAAFQASCETFCVGEEAKAAAQDIFSPKRSWKRQRYRLSTQAEGLQLLPGLIHVHRRKMFQATVLSVENLQSSKSTRATILVRLDTAGQEGLQYQPGDHIGICPPNRPGLVEALLSRVEDPPPPTESVAVEQLEKGSPGGPPPSWVRDPRLPPCTLRQALTFFLDITSPPSPRLLRLLSTLAEEPSEQQELETLSQDPRRYEEWKWFRCPTLLEVLEQFPSVALPAPLLLTQLPLLQPRYYSVSSAPNAHPGEVHLTVAVLAYRTQDGLGPLHYGVCSTWLSQLKTGDPVPCFIRGAPSFRLPPDPYVPCILVGPGTGIAPFRGFWQERLHDIESKGLQPAPMTLVFGCRCSQLDHLYRDEVQDAQERGVFGRVLTAFSREPDSPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATSVLQTVQRILATEGDMELDEAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERHLRGAVPWAFDPPGPDTPGP
Inhibitor
Name:
BDBM21961
Synonyms:
(2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)pentanamido]pyrrolidine-2-carboxamide | CHEMBL228077 | JMC522060 Compound 3 | N omega-Nitro-L-Arginine-Containing Dipeptide, 2
Type:
n/a
Emp. Form.:
C11H22N8O4
Mol. Mass.:
330.3436
SMILES:
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|