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Target
Nitric oxide synthase, endothelial
Ligand
BDBM50312522
Substrate
n/a
Meas. Tech.
ChEMBL_619388 (CHEMBL1104146)
Ki
21000±n/a nM
Citation
 Xue, F; Fang, J; Lewis, WW; Martásek, P; Roman, LJ; Silverman, RB Potent and selective neuronal nitric oxide synthase inhibitors with improved cellular permeability. Bioorg Med Chem Lett 20:554-7 (2010) [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:
BDBM50312522
Synonyms:
6-(((3S,4S)/(3R,4R)-4-(2-(2-(3-Fluorophenoxy)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | CHEMBL1087746
Type:
Small organic molecule
Emp. Form.:
C21H29FN4O2
Mol. Mass.:
388.479
SMILES:
Cc1cc(N)nc(CC2CNCC2OCCNCCOc2cccc(F)c2)c1
Structure:
Search PDB for entries with ligand similarity: