Reaction Details Report a problem with these data
Target
DNA ligase
Ligand
BDBM22982
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
30000±1300 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:
BDBM22982
Synonyms:
Glycosyl Ureides, 3b | ethyl 3-[(3aS,6R,6aS)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-3-{[(phenylformamido)methanethioyl]amino}propanoate | glycosyl ureide-based inhibitor, 2
Type:
Small organic molecule
Emp. Form.:
C27H32N2O7S
Mol. Mass.:
528.617
SMILES:
CCOC(=O)CC(NC(=S)NC(=O)c1ccccc1)C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 |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