Reaction Details Report a problem with these data
Target
Nitric oxide synthase, endothelial [N368D]
Ligand
BDBM21961
Substrate
BDBM21959
Meas. Tech.
NOS Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
303.15±n/a K
Ki
5100±n/a nM
Citation
 Flinspach, ML; Li, H; Jamal, J; Yang, W; Huang, H; Hah, JM; Giómez-Vidal, JA; Litzinger, EA; Silverman, RB; Poulos, TL Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat Struct Mol Biol 11:54-9 (2004) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, endothelial [N368D]
Synonyms:
Constitutive NOS | Endothelial NOS | Endothelial nitric oxide synthase | NOS type III | NOS3 | NOS3_BOVIN | Nitric Oxide Synthase, endothelial Mutant (N368D) | cNOS
Type:
Enzyme
Mol. Mass.:
133292.24
Organism:
Bos taurus (bovine)
Description:
Recombinant enzyme overexpressed in E. coli.
Residue:
1205
Sequence:
MGNLKSVGQEPGPPCGLGLGLGLGLCGKQGPASPAPEPSRAPAPATPHAPDHSPAPNSPTLTRPPEGPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRCCLGSLVLPRKLQTRPSPGPPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRDLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQPDPWKGSATKGAGITRKKTFKEVANAVKISASLMGTLMAKRVKATILYASETGRAQSYAQQLGRLFRKAFDPRVLCMDEYDVVSLEHEALVLVVTSTFGNGDPPENGESFAAALMEMSGPYNSSPRPEQHKSYKIRFNSVSCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHFCAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAKAAFQASCETFCVGEEAKAAAQDIFSPKRSWKRQRYRLSTQAEGLQLLPGLIHVHRRKMFQATVLSVENLQSSKSTRATILVRLDTAGQEGLQYQPGDHIGICPPNRPGLVEALLSRVEDPPPPTESVAVEQLEKGSPGGPPPSWVRDPRLPPCTLRQALTFFLDITSPPSPRLLRLLSTLAEEPSEQQELETLSQDPRRYEEWKWFRCPTLLEVLEQFPSVALPAPLLLTQLPLLQPRYYSVSSAPNAHPGEVHLTVAVLAYRTQDGLGPLHYGVCSTWLSQLKTGDPVPCFIRGAPSFRLPPDPYVPCILVGPGTGIAPFRGFWQERLHDIESKGLQPAPMTLVFGCRCSQLDHLYRDEVQDAQERGVFGRVLTAFSREPDSPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATSVLQTVQRILATEGDMELDEAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERHLRGAVPWAFDPPGPDTPGP
  
Inhibitor
Name:
BDBM21961
Synonyms:
(2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)pentanamido]pyrrolidine-2-carboxamide | CHEMBL228077 | JMC522060 Compound 3 | N omega-Nitro-L-Arginine-Containing Dipeptide, 2
Type:
n/a
Emp. Form.:
C11H22N8O4
Mol. Mass.:
330.3436
SMILES:
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21959
Synonyms:
(2S)-2-amino-5-carbamimidamidopentanoic acid | ARGININE | CHEMBL1485 | L-arginine
Type:
Amino Acid
Emp. Form.:
C6H14N4O2
Mol. Mass.:
174.201
SMILES:
[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Structure:
Search PDB for entries with ligand similarity: