Reaction Details Report a problem with these data
Target
Nitric oxide synthase, endothelial
Ligand
BDBM50206066
Substrate
n/a
Meas. Tech.
ChEMBL_442520 (CHEMBL892685)
IC50
4600±n/a nM
Citation
 Patman, J; Bhardwaj, N; Ramnauth, J; Annedi, SC; Renton, P; Maddaford, SP; Rakhit, S; Andrews, JS Novel 2-aminobenzothiazoles as selective neuronal nitric oxide synthase inhibitors. Bioorg Med Chem Lett 17:2540-4 (2007) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, endothelial
Synonyms:
Constitutive NOS | EC-NOS | Endothelial NOS | NOS type III | NOS3_RAT | NOSIII | Nos3 | cNOS | eNOS
Type:
PROTEIN
Mol. Mass.:
133297.24
Organism:
Rattus norvegicus
Description:
ChEMBL_812454
Residue:
1202
Sequence:
MGNLKSVGQEPGPPCGLGLGLGLGLCGKQGPASPAPEPSQAPVPPSPTRPAPDHSPPLTRPPDGPKFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPRKLQSRPTQGPSPTEQLLGQARDFINQYYNSIKRSGSQAHEQRLQEVEAEVVATGTYQLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCRTAQEMFTYICNHIKYATNRGNLRSAITVFPQRYAGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEPPELFTLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMSSEIGMRDLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINVAVLYSYQLAKVTIVDHHAATASFMKHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDPWKGSAAKGTGITRKKTFKEVANAVKISASLMGTVMAKRVKATILYGSETGRAQSYAQQLGRLFRKAFDPRVLCMDEYDVVSLEHEALVLVVTSTFGNGDPPENGESFAAALMEMSGPYNSSPRPEQHKSYKIRFNSVSCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHFCAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAQAAFQAACETFCVGEDAKAAARDIFSPKRSWKRQRYRLSTQAESLQLLPRLTHVHRRKMFQATILSVENLQSSKSTRATILVRLDTGSQEGLQYQPGDHIGVCPPNRPGLVEALLSRVEDPPPSTEPVAVEQLEKGSPGGPPPGWVRDPRLPPCTLRQALTYFLDITSPPSPRLLRLLSTLAEESSEQQELEALSQDPRRYEEWKWFRCPTLLEVLEQFPSVALPAPLILTQLPLLQPRYYSVSSAPSAHPGEIHLTVAVLAYRTQDGLGPLHYGVCSTWMSQLKAGDPVPCFIRGAPSFRLPPDPNLPCILVGPGTGIAPFRGFWQDRLHDIEIKGLQPAPMTLVFGCRCSQLDHLYRDEVLDAQQRGVFGQVLTAFSRDPGSPKTYVQDLLRTELAAEVHRVLCLEQGHMFVCGDVTMATSVLQTVQRILATEGSMELDEAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERQLRGAVPWSFDPPTQETPGS
  
Inhibitor
Name:
BDBM50206066
Synonyms:
CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl]-piperidin-4-ylamino}-benzothiazol-6-yl)-thiophene-2-carboxamidine
Type:
Small organic molecule
Emp. Form.:
C22H25N7S2
Mol. Mass.:
451.611
SMILES:
NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|
Structure:
Search PDB for entries with ligand similarity: