| Reaction Details |
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 | Report a problem with these data |
| Target | Ribonucleoside-diphosphate reductase large subunit/subunit M2/subunit M2 B |
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| Ligand | BDBM50174197 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_325982 (CHEMBL869398) |
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| IC50 | 40000±n/a nM |
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| Citation |  Fuertes, MJ; Kaur, J; Deb, P; Cooperman, BS; Smith, AB Design, synthesis, and evaluation of octahydropyranopyrrole-based inhibitors of mammalian ribonucleotide reductase. Bioorg Med Chem Lett15:5146-9 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Ribonucleoside-diphosphate reductase large subunit/subunit M2/subunit M2 B |
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| Name: | Ribonucleoside-diphosphate reductase large subunit/subunit M2/subunit M2 B |
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| Synonyms: | Ribonucleoside-diphosphate reductase M1 chain/Ribonucleoside-diphosphate reductase M2 chain/Ribonucleotide reductase |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 325982 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Ribonucleoside-diphosphate reductase large subunit |
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| Synonyms: | RIR1_HUMAN | RR1 | RRM1 | Ribonucleoside-diphosphate reductase M1 chain | Ribonucleoside-diphosphate reductase subunit M1 | Ribonucleotide reductase large subunit |
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| Type: | PROTEIN |
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| Mol. Mass.: | 90074.67 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_90946 |
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| Residue: | 792 |
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| Sequence: | MHVIKRDGRQERVMFDKITSRIQKLCYGLNMDFVDPAQITMKVIQGLYSGVTTVELDTLA
AETAATLTTKHPDYAILAARIAVSNLHKETKKVFSDVMEDLYNYINPHNGKHSPMVAKST
LDIVLANKDRLNSAIIYDRDFSYNYFGFKTLERSYLLKINGKVAERPQHMLMRVSVGIHK
EDIDAAIETYNLLSERWFTHASPTLFNAGTNRPQLSSCFLLSMKDDSIEGIYDTLKQCAL
ISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQGGNKRPGAFAIY
LEPWHLDIFEFLDLKKNTGKEEQRARDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLD
EVWGEEFEKLYASYEKQGRVRKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNL
GTIKCSNLCTEIVEYTSKDEVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKI
IDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGAL
EASCDLAKEQGPYETYEGSPVSKGILQYDMWNVTPTDLWDWKVLKEKIAKYGIRNSLLIA
PMPTASTAQILGNNESIEPYTSNIYTRRVLSGEFQIVNPHLLKDLTERGLWHEEMKNQII
ACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGKL
TSMHFYGWKQGLKTGMYYLRTRPAANPIQFTLNKEKLKDKEKVSKEEEEKERNTAAMVCS
LENRDECLMCGS
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| Component 2 |
| Name: | Ribonucleoside-diphosphate reductase subunit M2 B |
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| Synonyms: | P53R2 | RIR2B_HUMAN | RRM2B | Ribonucleoside-diphosphate reductase subunit M2 B | Ribonucleotide reductase | TP53-inducible ribonucleotide reductase M2 B | p53-inducible ribonucleotide reductase small subunit 2-like protein |
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| Type: | PROTEIN |
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| Mol. Mass.: | 40721.91 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_318 |
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| Residue: | 351 |
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| Sequence: | MGDPERPEAAGLDQDERSSSDTNESEIKSNEEPLLRKSSRRFVIFPIQYPDIWKMYKQAQ
ASFWTAEEVDLSKDLPHWNKLKADEKYFISHILAFFAASDGIVNENLVERFSQEVQVPEA
RCFYGFQILIENVHSEMYSLLIDTYIRDPKKREFLFNAIETMPYVKKKADWALRWIADRK
STFGERVVAFAAVEGVFFSGSFAAIFWLKKRGLMPGLTFSNELISRDEGLHCDFACLMFQ
YLVNKPSEERVREIIVDAVKIEQEFLTEALPVGLIGMNCILMKQYIEFVADRLLVELGFS
KVFQAENPFDFMENISLEGKTNFFEKRVSEYQRFAVMAETTDNVFTLDADF
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| Component 3 |
| Name: | Ribonucleoside-diphosphate reductase subunit M2 |
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| Synonyms: | RIR2_HUMAN | RR2 | RRM2 | Ribonucleoside-diphosphate reductase M2 chain | Ribonucleotide reductase small chain | Ribonucleotide reductase small subunit |
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| Type: | PROTEIN |
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| Mol. Mass.: | 44868.59 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_195255 |
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| Residue: | 389 |
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| Sequence: | MLSLRVPLAPITDPQQLQLSPLKGLSLVDKENTPPALSGTRVLASKTARRIFQEPTEPKT
KAAAPGVEDEPLLRENPRRFVIFPIEYHDIWQMYKKAEASFWTAEEVDLSKDIQHWESLK
PEERYFISHVLAFFAASDGIVNENLVERFSQEVQITEARCFYGFQIAMENIHSEMYSLLI
DTYIKDPKEREFLFNAIETMPCVKKKADWALRWIGDKEATYGERVVAFAAVEGIFFSGSF
ASIFWLKKRGLMPGLTFSNELISRDEGLHCDFACLMFKHLVHKPSEERVREIIINAVRIE
QEFLTEALPVKLIGMNCTLMKQYIEFVADRLMLELGFSKVFRVENPFDFMENISLEGKTN
FFEKRVGEYQRMGVMSSPTENSFTLDADF
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| BDBM50174197 |
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| n/a |
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| Name | BDBM50174197 |
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| Synonyms: | (S)-3-(2-((3S,3aR,5S,7S,7aS)-7-((3-(9H-fluoren-9-yl)propanoyloxy)methyl)-3-hydroxy-5-isobutoxy-hexahydropyrano[3,4-b]pyrrol-1(2H)-yl)acetamido)-4-((S)-1-carboxy-2-phenylethylamino)-4-oxobutanoic acid | CHEMBL425572 |
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| Type | Small organic molecule |
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| Emp. Form. | C43H51N3O11 |
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| Mol. Mass. | 785.8785 |
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| SMILES | CC(C)CO[C@@H]1C[C@H]2[C@H](O)CN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(O)=O)[C@@H]2[C@@H](COC(=O)CCC2c3ccccc3-c3ccccc23)O1 |
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| Structure | 
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