Target
Ribonucleoside-diphosphate reductase large subunit/subunit M2
Ligand
BDBM50053987
Substrate
n/a
Meas. Tech.
ChEMBL_195256 (CHEMBL872978)
IC50
40±n/a nM
Citation
 Moss, NBeaulieu, PDuceppe, JSFerland, JMGarneau, MGauthier, JGhiro, EGoulet, SGuse, IJaramillo, JLlinas-Brunet, MMalenfant, EPlante, RPoirier, MSoucy, FWernic, DYoakim, CDéziel, 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:
BDBM50053987
Synonyms:
(S)-N-(2,2-Dimethyl-propyl)-3-((S)-2-{(S)-2-[3-(1-ethyl-propyl)-ureido]-3,3-dimethyl-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-succinamic acid | CHEMBL132130
Type:
Small organic molecule
Emp. Form.:
C29H52N6O7
Mol. Mass.:
596.7592
SMILES:
CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(C)(C)C)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: