Reaction Details Report a problem with these data
Target
DNA ligase
Ligand
BDBM22984
Substrate
32P-labeled nicked duplex DNA substrate
Meas. Tech.
In Vitro Ligase Activity Assay
pH
7.6±n/a
Temperature
298.15±n/a K
IC50
3000±200 nM
Citation
 Srivastava, SK; Tripathi, RP; Ramachandran, R NAD+-dependent DNA Ligase (Rv3014c) from Mycobacterium tuberculosis. Crystal structure of the adenylation domain and identification of novel inhibitors. J Biol Chem 280:30273-81 (2005) [PubMed]  Article 
Target
Name:
DNA ligase
Synonyms:
30 | ATP-dependent DNA ligase | Bacteriophage T4 DNA Ligase | DNLI_BPT4 | Polydeoxyribonucleotide synthase [ATP]
Type:
Enzyme
Mol. Mass.:
55291.48
Organism:
Bacteriophage T4
Description:
n/a
Residue:
487
Sequence:
MILKILNEIASIGSTKQKQAILEKNKDNELLKRVYRLTYSRGLQYYIKKWPKPGIATQSFGMLTLTDMLDFIEFTLATRKLTGNAAIEELTGYITDGKKDDVEVLRRVMMRDLECGASVSIANKVWPGLIPEQPQMLASSYDEKGINKNIKFPAFAQLKADGARCFAEVRGDELDDVRLLSRAGNEYLGLDLLKEELIKMTAEARQIHPEGVLIDGELVYHEQVKKEPEGLDFLFDAYPENSKAKEFAEVAESRTASNGIANKSLKGTISEKEAQCMKFQVWDYVPLVEIYSLPAFRLKYDVRFSKLEQMTSGYDKVILIENQVVNNLDEAKVIYKKYIDQGLEGIILKNIDGLWENARSKNLYKFKEVIDVDLKIVGIYPHRKDPTKAGGFILESECGKIKVNAGSGLKDKAGVKSHELDRTRIMENQNYYIGKILECECNGWLKSDGRTDYVKLFLPIAIRLREDKTKANTFEDVFGDFHEVTGL
  
Inhibitor
Name:
BDBM22984
Synonyms:
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione | Adriamycin | Adriblastina | CHEMBL53463 | Doxil | Doxorubicin
Type:
Antibiotic
Emp. Form.:
C27H29NO11
Mol. Mass.:
543.5193
SMILES:
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
32P-labeled nicked duplex DNA substrate
Synonyms:
n/a
Type:
Duplex DNA
Mol. Mass.:
3295.68
Organism:
n/a
Description:
n/a
Residue:
40
Sequence:
ATGTCCAGTGATCCAGCTAAGGTACGAGTCTATGTCCAGG