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Target
DNA polymerase III subunit alpha
Ligand
BDBM50160355
Substrate
n/a
Meas. Tech.
ChEMBL_302895 (CHEMBL830211)
Ki
45000±n/a nM
Citation
 Wright, GE; Brown, NC; Xu, WC; Long, ZY; Zhi, C; Gambino, JJ; Barnes, MH; Butler, MM Active site directed inhibitors of replication-specific bacterial DNA polymerases. Bioorg Med Chem Lett 15:729-32 (2005) [PubMed]  Article 
Target
Name:
DNA polymerase III subunit alpha
Synonyms:
DNA polymerase III dnaE | DNA polymerase III subunit alpha | DNA polymerase IIIE | DPO3A_ECOLI | dnaE | polC
Type:
Enzyme
Mol. Mass.:
129872.84
Organism:
Escherichia coli
Description:
Enzyme was purified from recombinant strains.
Residue:
1160
Sequence:
MSEPRFVHLRVHSDYSMIDGLAKTAPLVKKAAALGMPALAITDFTNLCGLVKFYGAGHGAGIKPIVGADFNVQCDLLGDELTHLTVLAANNTGYQNLTLLISKAYQRGYGAAGPIIDRDWLIELNEGLILLSGGRMGDVGRSLLRGNSALVDECVAFYEEHFPDRYFLELIRTGRPDEESYLHAAVELAEARGLPVVATNDVRFIDSSDFDAHEIRVAIHDGFTLDDPKRPRNYSPQQYMRSEEEMCELFADIPEALANTVEIAKRCNVTVRLGEYFLPQFPTGDMSTEDYLVKRAKEGLEERLAFLFPDEEERLKRRPEYDERLETELQVINQMGFPGYFLIVMEFIQWSKDNGVPVGPGRGSGAGSLVAYALKITDLDPLEFDLLFERFLNPERVSMPDFDVDFCMEKRDQVIEHVADMYGRDAVSQIITFGTMAAKAVIRDVGRVLGHPYGFVDRISKLIPPDPGMTLAKAFEAEPQLPEIYEADEEVKALIDMARKLEGVTRNAGKHAGGVVIAPTKITDFAPLYCDEEGKHPVTQFDKSDVEYAGLVKFDFLGLRTLTIINWALEMINKRRAKNGEPPLDIAAIPLDDKKSFDMLQRSETTAVFQLESRGMKDLIKRLQPDCFEDMIALVALFRPGPLQSGMVDNFIDRKHGREEISYPDVQWQHESLKPVLEPTYGIILYQEQVMQIAQVLSGYTLGGADMLRRAMGKKKPEEMAKQRSVFAEGAEKNGINAELAMKIFDLVEKFAGYGFNKSHSAAYALVSYQTLWLKAHYPAEFMAAVMTADMDNTEKVVGLVDECWRMGLKILPPDINSGLYHFHVNDDGEIVYGIGAIKGVGEGPIEAIIEARNKGGYFRELFDLCARTDTKKLNRRVLEKLIMSGAFDRLGPHRAALMNSLGDALKAADQHAKAEAIGQADMFGVLAEEPEQIEQSYASCQPWPEQVVLDGERETLGLYLTGHPINQYLKEIERYVGGVRLKDMHPTERGKVITAAGLVVAARVMVTKRGNRIGICTLDDRSGRLEVMLFTDALDKYQQLLEKDRILIVSGQVSFDDFSGGLKMTAREVMDIDEAREKYARGLAISLTDRQIDDQLLNRLRQSLEPHRSGTIPVHLYYQRADARARLRFGATWRVSPSDRLLNDLRGLIGSEQVELEFD
  
Inhibitor
Name:
BDBM50160355
Synonyms:
CHEMBL181398 | Isobutyric acid 5-[2-(3,4-dichloro-benzylamino)-6-oxo-1,6-dihydro-purin-7-yl]-pentyl ester
Type:
Small organic molecule
Emp. Form.:
C21H25Cl2N5O3
Mol. Mass.:
466.361
SMILES:
CC(C)C(=O)OCCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Structure:
Search PDB for entries with ligand similarity: