| Reaction Details |
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 | Report a problem with these data |
| Target | Nitric oxide synthase, inducible |
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| Ligand | BDBM50205931 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_428500 (CHEMBL920402) |
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| IC50 | 0.96±n/a nM |
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| Citation |  Davey, DD; Adler, M; Arnaiz, D; Eagen, K; Erickson, S; Guilford, W; Kenrick, M; Morrissey, MM; Ohlmeyer, M; Pan, G; Paradkar, VM; Parkinson, J; Polokoff, M; Saionz, K; Santos, C; Subramanyam, B; Vergona, R; Wei, RG; Whitlow, M; Ye, B; Zhao, ZS; Devlin, JJ; Phillips, G Design, synthesis, and activity of 2-imidazol-1-ylpyrimidine derived inducible nitric oxide synthase dimerization inhibitors. J Med Chem50:1146-57 (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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| BDBM50205931 |
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| n/a |
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| Name | BDBM50205931 |
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| Synonyms: | CHEMBL223791 | N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-imidazol-yl)-4-pyrimidinyl]-4-[[(phenylmethyl)amino]carbonyl]-2-piperazineacetamide |
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| Type | Small organic molecule |
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| Emp. Form. | C29H30N8O4 |
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| Mol. Mass. | 554.5997 |
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| SMILES | O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)NCc1ccccc1)NCc1ccc2OCOc2c1 |
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| Structure | 
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