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Target
Nitric oxide synthase, inducible
Ligand
BDBM50340003
Substrate
n/a
Meas. Tech.
ChEMBL_740009 (CHEMBL1763069)
IC50
4±n/a nM
Citation
 Cheshire, DR; Åberg, A; Andersson, GM; Andrews, G; Beaton, HG; Birkinshaw, TN; Boughton-Smith, N; Connolly, S; Cook, TR; Cooper, A; Cooper, SL; Cox, D; Dixon, J; Gensmantel, N; Hamley, PJ; Harrison, R; Hartopp, P; Käck, H; Leeson, PD; Luker, T; Mete, A; Millichip, I; Nicholls, DJ; Pimm, AD; St-Gallay, SA; Wallace, AV The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Bioorg Med Chem Lett 21:2468-71 (2011) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, inducible
Synonyms:
HEP-NOS | Hepatocyte NOS | Inducible NO synthase | Inducible NOS | NOS type II | NOS2 | NOS2A | NOS2_HUMAN | Nitric oxide synthase, inducible (iNOS) | iNOS
Type:
Homodimer
Mol. Mass.:
131141.95
Organism:
Homo sapiens (Human)
Description:
P35228
Residue:
1153
Sequence:
MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLSKQQNESPQPLVETGKKSPESLVKLDATPLSSPRHVRIKNWGSGMTFQDTLHHKAKGILTCRSKSCLGSIMTPKSLTRGPRDKPTPPDELLPQAIEFVNQYYGSFKEAKIEEHLARVEAVTKEIETTGTYQLTGDELIFATKQAWRNAPRCIGRIQWSNLQVFDARSCSTAREMFEHICRHVRYSTNNGNIRSAITVFPQRSDGKHDFRVWNAQLIRYAGYQMPDGSIRGDPANVEFTQLCIDLGWKPKYGRFDVVPLVLQANGRDPELFEIPPDLVLEVAMEHPKYEWFRELELKWYALPAVANMLLEVGGLEFPGCPFNGWYMGTEIGVRDFCDVQRYNILEEVGRRMGLETHKLASLWKDQAVVEINIAVLHSFQKQNVTIMDHHSAAESFMKYMQNEYRSRGGCPADWIWLVPPMSGSITPVFHQEMLNYVLSPFYYYQVEAWKTHVWQDEKRRPKRREIPLKVLVKAVLFACMLMRKTMASRVRVTILFATETGKSEALAWDLGALFSCAFNPKVVCMDKYRLSCLEEERLLLVVTSTFGNGDCPGNGEKLKKSLFMLKELNNKFRYAVFGLGSSMYPRFCAFAHDIDQKLSHLGASQLTPMGEGDELSGQEDAFRSWAVQTFKAACETFDVRGKQHIQIPKLYTSNVTWDPHHYRLVQDSQPLDLSKALSSMHAKNVFTMRLKSRQNLQSPTSSRATILVELSCEDGQGLNYLPGEHLGVCPGNQPALVQGILERVVDGPTPHQTVRLEALDESGSYWVSDKRLPPCSLSQALTYFLDITTPPTQLLLQKLAQVATEEPERQRLEALCQPSEYSKWKFTNSPTFLEVLEEFPSLRVSAGFLLSQLPILKPRFYSISSSRDHTPTEIHLTVAVVTYHTRDGQGPLHHGVCSTWLNSLKPQDPVPCFVRNASGFHLPEDPSHPCILIGPGTGIAPFRSFWQQRLHDSQHKGVRGGRMTLVFGCRRPDEDHIYQEEMLEMAQKGVLHAVHTAYSRLPGKPKVYVQDILRQQLASEVLRVLHKEPGHLYVCGDVRMARDVAHTLKQLVAAKLKLNEEQVEDYFFQLKSQKRYHEDIFGAVFPYEAKKDRVAVQPSSLEMSAL
  
Inhibitor
Name:
BDBM50340003
Synonyms:
(R)-2-(3-amino-1-phenylpropylthio)-6-methylnicotinonitrile fumarate | CHEMBL1762480
Type:
Small organic molecule
Emp. Form.:
C16H17N3S
Mol. Mass.:
283.391
SMILES:
Cc1ccc(C#N)c(S[C@H](CCN)c2ccccc2)n1 |r|
Structure:
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