Reaction Details Report a problem with these data
Target
Nitric oxide synthase, endothelial
Ligand
BDBM50081589
Substrate
n/a
Meas. Tech.
ChEMBL_144494 (CHEMBL754800)
IC50
3000±n/a nM
Citation
 Fröhlich, LG; Kotsonis, P; Traub, H; Taghavi-Moghadam, S; Al-Masoudi, N; Hofmann, H; Strobel, H; Matter, H; Pfleiderer, W; Schmidt, HH Inhibition of neuronal nitric oxide synthase by 4-amino pteridine derivatives: structure-activity relationship of antagonists of (6R)-5,6,7,8-tetrahydrobiopterin cofactor. J Med Chem 42:4108-21 (1999) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, endothelial
Synonyms:
NOS | NOS3 | NOS3_PIG | Nitric-oxide synthase, endothelial
Type:
PROTEIN
Mol. Mass.:
133411.76
Organism:
Sus scrofa
Description:
ChEMBL_144495
Residue:
1205
Sequence:
MGNLKSVGQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPAPATPHAPEHSPAPNSPTLTRPPEGPKFPRVKNWEVGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQSRPSPGPPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVATTGTYHLGESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRTPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEPPELFALPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSYQLAKVTIVDHHAATASFMKHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYVLSPAFRYQPDPWKGSAAKGTGIARKKTFKEVANAVKISASLMATVMPKRVKASILYASETVRAQSYAQQLGRLFRKAFDPRVLCMDEYDVVSLEHETLVLVVTSTFGNGDPPENGESFAAALMEMSGPYNGSPRPEQHRSYKIRFNSVSCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHFCAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAQAAFQASCETFCVGEDAKAAARDIFSPKRSWKRQRYRLSAQVEGLQLLPGLVHVHRRKMFQATVLSVENLQSSKSTRATILVRLDTEGQEGLQYQPGDHIGICPPNRTGLVEALLSRVEDPTPPTESVGVEQLEKGSPGGPPPSWVRDPRLPPYTLRQALTFFLDITSPPSPRLLRVLSTLAEEPSEQQELETLSQDPRRYEEWKWFRCPTLLEVLEQFPSVALPTPLLLTQLALLQPRYYSVSSAPSTYPGEIHPTVAVLAYRTQDGLGPLHYGVCSTWLGQLKPGDPVPCFIRAAPSFRLPPDPSLPCILVGPGTGIAPFRGFWQERLHDIESKGLQPAPMTLVFGCRCSQLDHLYRDEVQDAQQRGVFGRVLTAFSREPDSPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATSVLQTVQRILATEGNMELDEAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERHLRGAVPWTFDPPGPDTPGP
  
Inhibitor
Name:
BDBM50081589
Synonyms:
CHEMBL101399 | N*4*,N*4*-Dibenzyl-6-phenyl-pteridine-2,4-diamine
Type:
Small organic molecule
Emp. Form.:
C26H22N6
Mol. Mass.:
418.4931
SMILES:
Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(cnc2n1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: