Reaction Details Report a problem with these data
Target
Ribonucleoside-diphosphate reductase large subunit
Ligand
BDBM50050824
Substrate
n/a
Meas. Tech.
ChEMBL_195387 (CHEMBL806876)
IC50
5±n/a nM
Citation
 Moss, N; Beaulieu, P; Duceppe, JS; Ferland, JM; Gauthier, J; Ghiro, E; Goulet, S; Guse, I; Llinàs-Brunet, M; Plante, R; Plamondon, L; Wernic, D; Déziel, R Ureido-based peptidomimetic inhibitor of herpes simplex virus ribonucleotide reductase: an investigation of inhibitor bioactive conformation. J Med Chem 39:2178-87 (1996) [PubMed]  Article 
Target
Name:
Ribonucleoside-diphosphate reductase large subunit
Synonyms:
ICP6 | R1 | RIR1 | RIR1_HHV11 | Ribonucleoside-diphosphate reductase large chain | Ribonucleoside-diphosphate reductase large subunit | Ribonucleotide reductase 136 kDa subunit | Ribonucleotide reductase large subunit
Type:
PROTEIN
Mol. Mass.:
124049.68
Organism:
Human herpesvirus 1 (strain 17) (HHV-1) (Human herpes simplex virus1)
Description:
ChEMBL_195109
Residue:
1137
Sequence:
MASRPAASSPVEARAPVGGQEAGGPSAATQGEAAGAPLAHGHHVYCQRVNGVMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAPFVAVTNIGAGSDGGTAVVAFGGTPRRSAGTSTGTQTADVPTEALGGPPPPPRFTLGGGCCSCRDTRRRSAVFGGEGDPVGPAEFVSDDRSSDSDSDDSEDTDSETLSHASSDVSGGATYDDALDSDSSSDDSLQIDGPVCRPWSNDTAPLDVCPGTPGPGADAGGPSAVDPHAPTPEAGAGLAADPAVARDDAEGLSDPRPRLGTGTAYPVPLELTPENAEAVARFLGDAVNREPALMLEYFCRCAREETKRVPPRTFGSPPRLTEDDFGLLNYALVEMQRLCLDVPPVPPNAYMPYYLREYVTRLVNGFKPLVSRSARLYRILGVLVHLRIRTREASFEEWLRSKEVALDFGLTERLREHEAQLVILAQALDHYDCLIHSTPHTLVERGLQSALKYEEFYLKRFGGHYMESVFQMYTRIAGFLACRATRGMRHIALGREGSWWEMFKFFFHRLYDHQIVPSTPAMLNLGTRNYYTSSCYLVNPQATTNKATLRAITSNVSAILARNGGIGLCVQAFNDSGPGTASVMPALKVLDSLVAAHNKESARPTGACVYLEPWHTDVRAVLRMKGVLAGEEAQRCDNIFSALWMPDLFFKRLIRHLDGEKNVTWTLFDRDTSMSLADFHGEEFEKLYQHLEVMGFGEQIPIQELAYGIVRSAATTGSPFVMFKDAVNRHYIYDTQGAAIAGSNLCTEIVHPASKRSSGVCNLGSVNLARCVSRQTFDFGRLRDAVQACVLMVNIMIDSTLQPTPQCTRGNDNLRSMGIGMQGLHTACLKLGLDLESAEFQDLNKHIAEVMLLSAMKTSNALCVRGARPFNHFKRSMYRAGRFHWERFPDARPRYEGEWEMLRQSMMKHGLRNSQFVALMPTAASAQISDVSEGFAPLFTNLFSKVTRDGETLRPNTLLLKELERTFSGKRLLEVMDSLDAKQWSVAQALPCLEPTHPLRRFKTAFDYDQKLLIDLCADRAPYVDHSQSMTLYVTEKADGTLPASTLVRLLVHAYKRGLKTGMYYCKVRKATNSGVFGGDDNIVCMSCAL
  
Inhibitor
Name:
BDBM50050824
Synonyms:
(S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[(1-ethyl-propylcarbamoyl)-methyl]-3,3-dimethyl-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-propionylamino]-4-methyl-pentanoic acid | CHEMBL70278
Type:
Small organic molecule
Emp. Form.:
C31H53N5O9
Mol. Mass.:
639.7806
SMILES:
CCC(CC)NC(=O)C[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)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: