| Reaction Details |
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 | Report a problem with these data |
| Target | Nitric oxide synthase, inducible |
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| Ligand | BDBM50117561 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_475714 (CHEMBL934600) |
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| IC50 | 5700±n/a nM |
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| Citation |  Crisman, TJ; Bender, A; Milik, M; Jenkins, JL; Scheiber, J; Sukuru, SC; Fejzo, J; Hommel, U; Davies, JW; Glick, M "Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits. J Med Chem51:2481-91 (2008) [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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| BDBM50117561 |
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| n/a |
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| Name | BDBM50117561 |
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| Synonyms: | (3aR,9bS)-8-Chloro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-ylamine | (3aR,9bS)-8-chloro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine | 8-Chloro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-ylamine | CHEMBL292099 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H13ClN2 |
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| Mol. Mass. | 220.698 |
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| SMILES | NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]12 |t:1| |
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| Structure | 
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