| Reaction Details |
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 | Report a problem with these data |
| Target | Nitric oxide synthase, inducible |
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| Ligand | BDBM50207100 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_438482 (CHEMBL887582) |
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| IC50 | 92±n/a nM |
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| Citation |  Whitlow, M; Adler, M; Davey, D; Huang, Q; Koovakkat, S; Parkinson, JF; Pham, E; Polokoff, M; Xu, W; Yuan, S; Phillips, G The rational design of inhibitors of nitric oxide formation by inducible nitric oxide synthase. Bioorg Med Chem Lett17:2505-8 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nitric oxide synthase, inducible |
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| Name: | Nitric oxide synthase, inducible |
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| Synonyms: | HEP-NOS | Hepatocyte NOS | Inducible NO synthase | Inducible NOS | NOS type II | NOS2 | NOS2A | NOS2_HUMAN | Nitric oxide synthase, inducible (iNOS) | iNOS |
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| Type: | Homodimer |
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| Mol. Mass.: | 131141.95 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P35228 |
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| Residue: | 1153 |
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| Sequence: | MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLSKQQNESPQPL
VETGKKSPESLVKLDATPLSSPRHVRIKNWGSGMTFQDTLHHKAKGILTCRSKSCLGSIM
TPKSLTRGPRDKPTPPDELLPQAIEFVNQYYGSFKEAKIEEHLARVEAVTKEIETTGTYQ
LTGDELIFATKQAWRNAPRCIGRIQWSNLQVFDARSCSTAREMFEHICRHVRYSTNNGNI
RSAITVFPQRSDGKHDFRVWNAQLIRYAGYQMPDGSIRGDPANVEFTQLCIDLGWKPKYG
RFDVVPLVLQANGRDPELFEIPPDLVLEVAMEHPKYEWFRELELKWYALPAVANMLLEVG
GLEFPGCPFNGWYMGTEIGVRDFCDVQRYNILEEVGRRMGLETHKLASLWKDQAVVEINI
AVLHSFQKQNVTIMDHHSAAESFMKYMQNEYRSRGGCPADWIWLVPPMSGSITPVFHQEM
LNYVLSPFYYYQVEAWKTHVWQDEKRRPKRREIPLKVLVKAVLFACMLMRKTMASRVRVT
ILFATETGKSEALAWDLGALFSCAFNPKVVCMDKYRLSCLEEERLLLVVTSTFGNGDCPG
NGEKLKKSLFMLKELNNKFRYAVFGLGSSMYPRFCAFAHDIDQKLSHLGASQLTPMGEGD
ELSGQEDAFRSWAVQTFKAACETFDVRGKQHIQIPKLYTSNVTWDPHHYRLVQDSQPLDL
SKALSSMHAKNVFTMRLKSRQNLQSPTSSRATILVELSCEDGQGLNYLPGEHLGVCPGNQ
PALVQGILERVVDGPTPHQTVRLEALDESGSYWVSDKRLPPCSLSQALTYFLDITTPPTQ
LLLQKLAQVATEEPERQRLEALCQPSEYSKWKFTNSPTFLEVLEEFPSLRVSAGFLLSQL
PILKPRFYSISSSRDHTPTEIHLTVAVVTYHTRDGQGPLHHGVCSTWLNSLKPQDPVPCF
VRNASGFHLPEDPSHPCILIGPGTGIAPFRSFWQQRLHDSQHKGVRGGRMTLVFGCRRPD
EDHIYQEEMLEMAQKGVLHAVHTAYSRLPGKPKVYVQDILRQQLASEVLRVLHKEPGHLY
VCGDVRMARDVAHTLKQLVAAKLKLNEEQVEDYFFQLKSQKRYHEDIFGAVFPYEAKKDR
VAVQPSSLEMSAL
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| BDBM50207100 |
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| n/a |
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| Name | BDBM50207100 |
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| Synonyms: | 4-(benzo[d][1,3]dioxol-5-yloxy)-2-(2-fluoro-4-(1H-imidazol-1-yl)phenoxy)-6-methylpyrimidine | CHEMBL388708 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H15FN4O4 |
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| Mol. Mass. | 406.3666 |
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| SMILES | Cc1cc(Oc2ccc3OCOc3c2)nc(Oc2ccc(cc2F)-n2ccnc2)n1 |
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| Structure | 
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