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Target
Nitric oxide synthase, inducible
Ligand
BDBM50304151
Substrate
n/a
Meas. Tech.
ChEMBL_600963 (CHEMBL1046068)
IC50
400000±n/a nM
Citation
 Claramunt, RM; López, C; Pérez-Medina, C; Pérez-Torralba, M; Elguero, J; Escames, G; Acuña-Castroviejo, D Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation. Bioorg Med Chem 17:6180-7 (2009) [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:
BDBM50304151
Synonyms:
4,5,6,7-tetrafluoro-3-perfluorophenyl-1H-indazole | CHEMBL595197
Type:
Small organic molecule
Emp. Form.:
C13HF9N2
Mol. Mass.:
356.1461
SMILES:
Fc1c(F)c(F)c(-c2n[nH]c3c(F)c(F)c(F)c(F)c23)c(F)c1F |(10.47,-19.5,;9.99,-20.96,;11.03,-22.11,;12.53,-21.79,;10.55,-23.57,;11.58,-24.72,;9.04,-23.88,;8.57,-25.35,;9.47,-26.59,;8.57,-27.84,;7.1,-27.36,;5.77,-28.14,;5.78,-29.68,;4.43,-27.37,;3.1,-28.14,;4.43,-25.83,;3.1,-25.06,;5.77,-25.06,;5.77,-23.52,;7.1,-25.82,;8.01,-22.75,;6.67,-21.98,;8.48,-21.29,;7.45,-20.15,)|
Structure:
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