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Target
Ribonucleoside-diphosphate reductase subunit alpha
Ligand
BDBM50431422
Substrate
n/a
Meas. Tech.
ChEMBL_952415 (CHEMBL2352781)
Kd
8300±n/a nM
Citation
 Nurbo, J; Ericsson, DJ; Rosenström, U; Muthas, D; Jansson, AM; Lindeberg, G; Unge, T; Karlén, A Novel pseudopeptides incorporating a benzodiazepine-based turn mimetic--targeting Mycobacterium tuberculosis ribonucleotide reductase. Bioorg Med Chem 21:1992-2000 (2013) [PubMed]  Article
Target
Name:
Ribonucleoside-diphosphate reductase subunit alpha
Synonyms:
MT3137 | RIR1_MYCTU | Ribonucleotide reductase R1 subunit | nrdE
Type:
PROTEIN
Mol. Mass.:
82438.64
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_952415
Residue:
725
Sequence:
MPPTVIAEPVASGAHASYSGGPGETDYHALNAMLNLYDADGKIQFDKDREAAHQYFLQHVNQNTVFFHNQDEKLDYLIRENYYEREVLDQYSRNFVKTLLDRAYAKKFRFPTFLGAFKYYTSYTLKTFDGKRYLERFEDRVVMVALTLAAGDTALAELLVDEIIDGRFQPATPTFLNSGKKQRGEPVSCFLLRVEDNMESIGRSINSALQLSKRGGGVALLLTNIREHGAPIKNIENQSSGVIPIMKLLEDAFSYANQLGARQGAGAVYLHAHHPDIYRFLDTKRENADEKIRIKTLSLGVVIPDITFELAKRNDDMYLFSPYDVERVYGVPFADISVTEKYYEMVDDARIRKTKIKAREFFQTLAELQFESGYPYIMFEDTVNRANPIDGKITHSNLCSEILQVSTPSLFNEDLSYAKVGKDISCNLGSLNIAKTMDSPDFAQTIEVAIRALTAVSDQTHIKSVPSIEQGNNDSHAIGLGQMNLHGYLARERIFYGSDEGIDFTNIYFYTVLYHALRASNRIAIERGTHFKGFERSKYASGEFFDKYTDQIWEPKTQKVRQLFADAGIRIPTQDDWRRLKESVQAHGIYNQNLQAVPPTGSISYINHSTSSIHPIVSKVEIRKEGKIGRVYYPAPYMTNDNLEYYEDAYEIGYEKIIDTYAAATQHVDQGLSLTLFFKDTATTRDVNKAQIYAWRKGIKTLYYIRLRQMALEGTEVEGCVSCML
  
Inhibitor
Name:
BDBM50431422
Synonyms:
CHEMBL2348054
Type:
Small organic molecule
Emp. Form.:
C43H50N8O19
Mol. Mass.:
982.8993
SMILES:
CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Structure:
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