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Target
DNA polymerase III subunit alpha
Ligand
BDBM50160342
Substrate
n/a
Meas. Tech.
ChEMBL_302895 (CHEMBL830211)
Ki
26000±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:
BDBM50160342
Synonyms:
2-(3,4-Dichloro-benzylamino)-7-(4-morpholin-4-yl-butyl)-1,7-dihydro-purin-6-one | CHEMBL180999
Type:
Small organic molecule
Emp. Form.:
C20H24Cl2N6O2
Mol. Mass.:
451.35
SMILES:
Clc1ccc(CNc2nc3ncn(CCCCN4CCOCC4)c3c(=O)[nH]2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: