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Target
Ribonucleoside-diphosphate reductase large subunit/subunit M2
Ligand
BDBM50053968
Substrate
n/a
Meas. Tech.
ChEMBL_195256 (CHEMBL872978)
IC50
3±n/a nM
Citation
 Moss, N; Beaulieu, P; Duceppe, JS; Ferland, JM; Garneau, M; Gauthier, J; Ghiro, E; Goulet, S; Guse, I; Jaramillo, J; Llinas-Brunet, M; Malenfant, E; Plante, R; Poirier, M; Soucy, F; Wernic, D; Yoakim, C; Déziel, R Peptidomimetic inhibitors of herpes simplex virus ribonucleotide reductase with improved in vivo antiviral activity. J Med Chem 39:4173-80 (1996) [PubMed]  Article 
Target
Name:
Ribonucleoside-diphosphate reductase large subunit/subunit M2
Synonyms:
RRM1/RRM2 holoenzyme | Ribonucleoside-diphosphate reductase M1/M2 chain
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 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
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:
BDBM50053968
Synonyms:
(S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-propyl)-ureido]-3,3-dimethyl-butyrylamino}-5,5-dimethyl-4-oxo-hexanoylamino)-propionylamino]-4-methyl-pentanoic acid | CHEMBL133754
Type:
Small organic molecule
Emp. Form.:
C30H53N5O9
Mol. Mass.:
627.7699
SMILES:
CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: