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Target
Nitric oxide synthase, endothelial
Ligand
BDBM50352598
Substrate
n/a
Meas. Tech.
ChEMBL_767474 (CHEMBL1825586)
IC50
12100±n/a nM
Citation
 Renton, P; Speed, J; Maddaford, S; Annedi, SC; Ramnauth, J; Rakhit, S; Andrews, J 1,5-Disubstituted indole derivatives as selective human neuronal nitric oxide synthase inhibitors. Bioorg Med Chem Lett 21:5301-4 (2011) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, endothelial
Synonyms:
Constitutive NOS | EC-NOS | Endothelial NOS | Endothelial nitric oxide synthase | NOS type III | NOS3 | NOS3_HUMAN | NOSIII | Nitric oxide synthase (inducible and endothelial) | Nitric oxide synthase, endothelial (eNOS) | Nitric-oxide synthase (endothelial and brain) | cNOS | eNOS
Type:
Enzyme Catalytic Domain
Mol. Mass.:
133297.84
Organism:
Homo sapiens (Human)
Description:
P29474
Residue:
1203
Sequence:
MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAPEHSPPSSPLTQPPEGPKFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPRKLQGRPSPGPPAPEQLLSQARDFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAITVFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDDPPELFLLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFMKHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDPWKGSAAKGTGITRKKTFKEVANAVKISASLMGTVMAKRVKATILYGSETGRAQSYAQQLGRLFRKAFDPRVLCMDEYDVVSLEHETLVLVVTSTFGNGDPPENGESFAAALMEMSGPYNSSPRPEQHKSYKIRFNSISCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHFCAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAQAAFQAACETFCVGEDAKAAARDIFSPKRSWKRQRYRLSAQAEGLQLLPGLIHVHRRKMFQATIRSVENLQSSKSTRATILVRLDTGGQEGLQYQPGDHIGVCPPNRPGLVEALLSRVEDPPAPTEPVAVEQLEKGSPGGPPPGWVRDPRLPPCTLRQALTFFLDITSPPSPQLLRLLSTLAEEPREQQELEALSQDPRRYEEWKWFRCPTLLEVLEQFPSVALPAPLLLTQLPLLQPRYYSVSSAPSTHPGEIHLTVAVLAYRTQDGLGPLHYGVCSTWLSQLKPGDPVPCFIRGAPSFRLPPDPSLPCILVGPGTGIAPFRGFWQERLHDIESKGLQPTPMTLVFGCRCSQLDHLYRDEVQNAQQRGVFGRVLTAFSREPDNPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATNVLQTVQRILATEGDMELDEAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERQLRGAVPWAFDPPGSDTNSP
  
Inhibitor
Name:
BDBM50352598
Synonyms:
CHEMBL1821900
Type:
Small organic molecule
Emp. Form.:
C20H22N4S
Mol. Mass.:
350.48
SMILES:
NC(=Nc1ccc2n(ccc2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,(-1.86,-6.49,;-2.67,-5.18,;-1.95,-3.82,;-.41,-3.77,;.41,-5.08,;1.95,-5.03,;2.67,-3.67,;4.16,-3.3,;4.27,-1.76,;2.84,-1.18,;1.85,-2.36,;.31,-2.42,;5.34,-4.29,;5.34,-5.83,;6.67,-6.59,;8,-5.82,;8.06,-4.28,;6.67,-3.51,;7.41,-4.8,;6.06,-5.17,;-4.21,-5.23,;-5.06,-3.94,;-6.54,-4.36,;-6.6,-5.9,;-5.16,-6.43,)|
Structure:
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