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Target
DNA-directed RNA polymerase subunit beta'
Ligand
BDBM50000057
Substrate
n/a
Meas. Tech.
ChEMBL_1334097 (CHEMBL3232507)
IC50
2700±n/a nM
Citation
 Sinha, BK; Cox, MG; Chignell, CF; Cysyk, RL Synthesis and biological properties of N2-substituted spin-labeled analogues of actinomycin D. J Med Chem 22:1051-5 (1979) [PubMed]  Article 
Target
Name:
DNA-directed RNA polymerase subunit beta'
Synonyms:
JW3951 | RPOC_ECOLI | rpoC | tabB
Type:
PROTEIN
Mol. Mass.:
155165.00
Organism:
Escherichia coli K-12
Description:
ChEMBL_106172
Residue:
1407
Sequence:
MKDLLKFLKAQTKTEEFDAIKIALASPDMIRSWSFGEVKKPETINYRTFKPERDGLFCARIFGPVKDYECLCGKYKRLKHRGVICEKCGVEVTQTKVRRERMGHIELASPTAHIWFLKSLPSRIGLLLDMPLRDIERVLYFESYVVIEGGMTNLERQQILTEEQYLDALEEFGDEFDAKMGAEAIQALLKSMDLEQECEQLREELNETNSETKRKKLTKRIKLLEAFVQSGNKPEWMILTVLPVLPPDLRPLVPLDGGRFATSDLNDLYRRVINRNNRLKRLLDLAAPDIIVRNEKRMLQEAVDALLDNGRRGRAITGSNKRPLKSLADMIKGKQGRFRQNLLGKRVDYSGRSVITVGPYLRLHQCGLPKKMALELFKPFIYGKLELRGLATTIKAAKKMVEREEAVVWDILDEVIREHPVLLNRAPTLHRLGIQAFEPVLIEGKAIQLHPLVCAAYNADFDGDQMAVHVPLTLEAQLEARALMMSTNNILSPANGEPIIVPSQDVVLGLYYMTRDCVNAKGEGMVLTGPKEAERLYRSGLASLHARVKVRITEYEKDANGELVAKTSLKDTTVGRAILWMIVPKGLPYSIVNQALGKKAISKMLNTCYRILGLKPTVIFADQIMYTGFAYAARSGASVGIDDMVIPEKKHEIISEAEAEVAEIQEQFQSGLVTAGERYNKVIDIWAAANDRVSKAMMDNLQTETVINRDGQEEKQVSFNSIYMMADSGARGSAAQIRQLAGMRGLMAKPDGSIIETPITANFREGLNVLQYFISTHGARKGLADTALKTANSGYLTRRLVDVAQDLVVTEDDCGTHEGIMMTPVIEGGDVKEPLRDRVLGRVTAEDVLKPGTADILVPRNTLLHEQWCDLLEENSVDAVKVRSVVSCDTDFGVCAHCYGRDLARGHIINKGEAIGVIAAQSIGEPGTQLTMRTFHIGGAASRAAAESSIQVKNKGSIKLSNVKSVVNSSGKLVITSRNTELKLIDEFGRTKESYKVPYGAVLAKGDGEQVAGGETVANWDPHTMPVITEVSGFVRFTDMIDGQTITRQTDELTGLSSLVVLDSAERTAGGKDLRPALKIVDAQGNDVLIPGTDMPAQYFLPGKAIVQLEDGVQISSGDTLARIPQESGGTKDITGGLPRVADLFEARRPKEPAILAEISGIVSFGKETKGKRRLVITPVDGSDPYEEMIPKWRQLNVFEGERVERGDVISDGPEAPHDILRLRGVHAVTRYIVNEVQDVYRLQGVKINDKHIEVIVRQMLRKATIVNAGSSDFLEGEQVEYSRVKIANRELEANGKVGATYSRDLLGITKASLATESFISAASFQETTRVLTEAAVAGKRDELRGLKENVIVGRLIPAGTGYAYHQDRMRRRAAGEAPAAPQVTAEDASASLAELLNAGLGGSDNE
  
Inhibitor
Name:
BDBM50000057
Synonyms:
CHEMBL3228737
Type:
Small organic molecule
Emp. Form.:
C74H109N14O17
Mol. Mass.:
1466.7409
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(NCCCNC5CC(C)(C)[N+]([O-])C(C)(C)C5)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C |r,wU:12.13,8.111,55.57,50.52,1.0,wD:49.50,76.83,91.98,86.93,68.70,^1:39,(37.15,-26.86,;38.9,-26.18,;37.87,-25.04,;38.62,-23.71,;40.14,-24.02,;40.32,-25.53,;41.66,-26.3,;41.66,-27.84,;42.99,-25.53,;44.32,-26.3,;46.86,-32.42,;48.19,-33.19,;45.52,-33.16,;45.51,-34.7,;46.84,-35.5,;48.17,-34.73,;46.83,-37.04,;45.5,-37.78,;45.48,-39.32,;46.81,-40.12,;46.79,-41.65,;48.14,-39.35,;49.47,-40.12,;50.8,-39.36,;52.11,-40.13,;52.09,-41.68,;53.43,-39.37,;54.77,-40.16,;53.44,-37.85,;54.77,-37.08,;56.11,-37.85,;57.44,-37.08,;58.77,-37.85,;58.77,-39.39,;60.11,-40.16,;60.1,-41.7,;61.43,-42.46,;61.42,-44,;60.09,-43.22,;62.77,-41.7,;64.1,-42.48,;62.77,-40.16,;63.53,-38.82,;64.31,-40.15,;61.43,-39.38,;52.11,-37.08,;52.13,-35.54,;50.8,-34.77,;53.46,-34.77,;53.46,-33.23,;54.81,-32.46,;54.82,-30.94,;56.14,-33.25,;57.48,-32.48,;57.48,-30.95,;58.81,-33.26,;58.8,-34.8,;60.14,-35.57,;57.47,-35.57,;60.15,-32.49,;61.48,-33.27,;60.16,-30.95,;58.82,-30.18,;61.49,-30.19,;61.49,-28.64,;62.84,-27.88,;60.16,-27.87,;58.83,-28.64,;60.18,-26.33,;61.85,-27.2,;61.44,-25.43,;60.95,-23.96,;59.41,-23.96,;58.94,-25.42,;57.59,-26.18,;57.59,-27.73,;56.26,-25.41,;54.93,-26.16,;52.13,-32.46,;50.8,-33.23,;56.26,-23.85,;54.93,-23.08,;57.61,-23.08,;50.8,-37.83,;49.47,-37.06,;48.16,-37.81,;44.19,-32.39,;44.2,-30.85,;42.85,-33.16,;41.52,-32.37,;41.54,-30.83,;40.19,-33.13,;40.16,-34.67,;41.49,-35.45,;38.83,-35.43,;38.85,-32.35,;37.52,-33.11,;38.86,-30.81,;40.21,-30.05,;37.53,-30.03,;37.55,-28.49,;36.22,-27.7,;38.9,-27.73,;40.21,-28.5,;42.96,-23.99,;44.31,-23.22,;41.63,-23.22,)|
Structure:
Search PDB for entries with ligand similarity: