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Target
Ribonucleoside-diphosphate reductase large subunit/subunit M2/subunit M2 B
Ligand
BDBM50174197
Substrate
n/a
Meas. Tech.
ChEMBL_325982 (CHEMBL869398)
IC50
40000±n/a nM
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 Lett 15:5146-9 (2005) [PubMed]  Article 
Target
Name:
Ribonucleoside-diphosphate reductase large subunit/subunit M2/subunit M2 B
Synonyms:
Ribonucleoside-diphosphate reductase M1 chain/Ribonucleoside-diphosphate reductase M2 chain/Ribonucleotide reductase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 325982
Components:
This complex has 3 components.
Component 1
Name:
Ribonucleoside-diphosphate reductase large subunit
Synonyms:
RIR1_HUMAN | RR1 | RRM1 | Ribonucleoside-diphosphate reductase M1 chain | Ribonucleoside-diphosphate reductase subunit M1 | Ribonucleotide reductase large subunit
Type:
PROTEIN
Mol. Mass.:
90074.67
Organism:
Homo sapiens (Human)
Description:
ChEMBL_90946
Residue:
792
Sequence:
MHVIKRDGRQERVMFDKITSRIQKLCYGLNMDFVDPAQITMKVIQGLYSGVTTVELDTLAAETAATLTTKHPDYAILAARIAVSNLHKETKKVFSDVMEDLYNYINPHNGKHSPMVAKSTLDIVLANKDRLNSAIIYDRDFSYNYFGFKTLERSYLLKINGKVAERPQHMLMRVSVGIHKEDIDAAIETYNLLSERWFTHASPTLFNAGTNRPQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQGGNKRPGAFAIYLEPWHLDIFEFLDLKKNTGKEEQRARDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLDEVWGEEFEKLYASYEKQGRVRKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEIVEYTSKDEVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQGPYETYEGSPVSKGILQYDMWNVTPTDLWDWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIYTRRVLSGEFQIVNPHLLKDLTERGLWHEEMKNQIIACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGKLTSMHFYGWKQGLKTGMYYLRTRPAANPIQFTLNKEKLKDKEKVSKEEEEKERNTAAMVCSLENRDECLMCGS
  
Component 2
Name:
Ribonucleoside-diphosphate reductase subunit M2 B
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
Type:
PROTEIN
Mol. Mass.:
40721.91
Organism:
Homo sapiens (Human)
Description:
EBI_318
Residue:
351
Sequence:
MGDPERPEAAGLDQDERSSSDTNESEIKSNEEPLLRKSSRRFVIFPIQYPDIWKMYKQAQASFWTAEEVDLSKDLPHWNKLKADEKYFISHILAFFAASDGIVNENLVERFSQEVQVPEARCFYGFQILIENVHSEMYSLLIDTYIRDPKKREFLFNAIETMPYVKKKADWALRWIADRKSTFGERVVAFAAVEGVFFSGSFAAIFWLKKRGLMPGLTFSNELISRDEGLHCDFACLMFQYLVNKPSEERVREIIVDAVKIEQEFLTEALPVGLIGMNCILMKQYIEFVADRLLVELGFSKVFQAENPFDFMENISLEGKTNFFEKRVSEYQRFAVMAETTDNVFTLDADF
  
Component 3
Name:
Ribonucleoside-diphosphate reductase subunit M2
Synonyms:
RIR2_HUMAN | RR2 | RRM2 | Ribonucleoside-diphosphate reductase M2 chain | Ribonucleotide reductase small chain | Ribonucleotide reductase small subunit
Type:
PROTEIN
Mol. Mass.:
44868.59
Organism:
Homo sapiens (Human)
Description:
ChEMBL_195255
Residue:
389
Sequence:
MLSLRVPLAPITDPQQLQLSPLKGLSLVDKENTPPALSGTRVLASKTARRIFQEPTEPKTKAAAPGVEDEPLLRENPRRFVIFPIEYHDIWQMYKKAEASFWTAEEVDLSKDIQHWESLKPEERYFISHVLAFFAASDGIVNENLVERFSQEVQITEARCFYGFQIAMENIHSEMYSLLIDTYIKDPKEREFLFNAIETMPCVKKKADWALRWIGDKEATYGERVVAFAAVEGIFFSGSFASIFWLKKRGLMPGLTFSNELISRDEGLHCDFACLMFKHLVHKPSEERVREIIINAVRIEQEFLTEALPVKLIGMNCTLMKQYIEFVADRLMLELGFSKVFRVENPFDFMENISLEGKTNFFEKRVGEYQRMGVMSSPTENSFTLDADF
  
Inhibitor
Name:
BDBM50174197
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
Type:
Small organic molecule
Emp. Form.:
C43H51N3O11
Mol. Mass.:
785.8785
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
Structure:
Search PDB for entries with ligand similarity: