Reaction Details Report a problem with these data
Target
Nitric oxide synthase, endothelial
Ligand
BDBM50330882
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Ki
28000±n/a nM
Comments
extracted
Citation
 Silverman, RB; Cinelli, MA 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition US Patent  US9212144 Publication Date 12/15/2015 
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:
BDBM50330882
Synonyms:
CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-aminopyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(4-fluorobenzyl)ethane-1,2-diamine tetrahydrochloride | US9090589, 1 | US9212144, 1 | US9783500, Compound 2
Type:
Small organic molecule
Emp. Form.:
C21H30FN5
Mol. Mass.:
371.4948
SMILES:
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r|
Structure:
Search PDB for entries with ligand similarity: