Reaction Details Report a problem with these data
Target
Nitric oxide synthase, endothelial
Ligand
BDBM50014713
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
Ki
35.0±n/a nM
Citation
 Silverman, RB; Wang, H; Qin, Y; Zou, F; Kang, SS; Jing, Q Mammalian and bacterial nitric oxide synthase inhibitors US Patent  US10759791 Publication Date 9/1/2020 
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:
BDBM50014713
Synonyms:
CHEMBL3262022 | US10759791, Compound 6 | US9951014, Name 6
Type:
Small organic molecule
Emp. Form.:
C23H29N5
Mol. Mass.:
375.5099
SMILES:
Cc1cc(N)nc(CCc2cccc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Structure:
Search PDB for entries with ligand similarity: