Reaction Details |
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Target | Ribonucleoside-diphosphate reductase large subunit |
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Ligand | BDBM50050821 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_195387 (CHEMBL806876) |
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IC50 | 32.0±n/a nM |
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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 Chem39:2178-87 (1996) [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 |
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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: | MASRPAASSPVEARAPVGGQEAGGPSAATQGEAAGAPLAHGHHVYCQRVNGVMVLSDKTP
GSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAPFVAVTNIGAGSDGGTAV
VAFGGTPRRSAGTSTGTQTADVPTEALGGPPPPPRFTLGGGCCSCRDTRRRSAVFGGEGD
PVGPAEFVSDDRSSDSDSDDSEDTDSETLSHASSDVSGGATYDDALDSDSSSDDSLQIDG
PVCRPWSNDTAPLDVCPGTPGPGADAGGPSAVDPHAPTPEAGAGLAADPAVARDDAEGLS
DPRPRLGTGTAYPVPLELTPENAEAVARFLGDAVNREPALMLEYFCRCAREETKRVPPRT
FGSPPRLTEDDFGLLNYALVEMQRLCLDVPPVPPNAYMPYYLREYVTRLVNGFKPLVSRS
ARLYRILGVLVHLRIRTREASFEEWLRSKEVALDFGLTERLREHEAQLVILAQALDHYDC
LIHSTPHTLVERGLQSALKYEEFYLKRFGGHYMESVFQMYTRIAGFLACRATRGMRHIAL
GREGSWWEMFKFFFHRLYDHQIVPSTPAMLNLGTRNYYTSSCYLVNPQATTNKATLRAIT
SNVSAILARNGGIGLCVQAFNDSGPGTASVMPALKVLDSLVAAHNKESARPTGACVYLEP
WHTDVRAVLRMKGVLAGEEAQRCDNIFSALWMPDLFFKRLIRHLDGEKNVTWTLFDRDTS
MSLADFHGEEFEKLYQHLEVMGFGEQIPIQELAYGIVRSAATTGSPFVMFKDAVNRHYIY
DTQGAAIAGSNLCTEIVHPASKRSSGVCNLGSVNLARCVSRQTFDFGRLRDAVQACVLMV
NIMIDSTLQPTPQCTRGNDNLRSMGIGMQGLHTACLKLGLDLESAEFQDLNKHIAEVMLL
SAMKTSNALCVRGARPFNHFKRSMYRAGRFHWERFPDARPRYEGEWEMLRQSMMKHGLRN
SQFVALMPTAASAQISDVSEGFAPLFTNLFSKVTRDGETLRPNTLLLKELERTFSGKRLL
EVMDSLDAKQWSVAQALPCLEPTHPLRRFKTAFDYDQKLLIDLCADRAPYVDHSQSMTLY
VTEKADGTLPASTLVRLLVHAYKRGLKTGMYYCKVRKATNSGVFGGDDNIVCMSCAL
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BDBM50050821 |
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n/a |
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Name | BDBM50050821 |
Synonyms: | (S)-2-((S)-3-Carboxy-2-{[1-{(S)-2-[3-(1-ethyl-propyl)-ureido]-3,3-dimethyl-butyryl}-3-(pyrrolidine-1-carbonyl)-piperidine-2-carbonyl]-amino}-propionylamino)-4-methyl-pentanoic acid | CHEMBL70879 |
Type | Small organic molecule |
Emp. Form. | C33H56N6O9 |
Mol. Mass. | 680.8325 |
SMILES | CCC(CC)NC(=O)N[C@H](C(=O)N1CCCC(C1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N1CCCC1)C(C)(C)C |
Structure |
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