Reaction Details Report a problem with these data
Target
DNA polymerase beta
Ligand
BDBM50222205
Substrate
n/a
Meas. Tech.
ChEMBL_550647 (CHEMBL1002742)
IC50
12600±n/a nM
Citation
 Chaturvedula, VS; Gao, Z; Jones, SH; Feng, X; Hecht, SM; Kingston, DG A new ursane triterpene from Monochaetum vulcanicum that inhibits DNA polymerase beta lyase. J Nat Prod 67:899-901 (2004) [PubMed]  Article 
Target
Name:
DNA polymerase beta
Synonyms:
DNA polymerase beta (Pol β) | DPOLB_HUMAN | POLB
Type:
Protein
Mol. Mass.:
38188.76
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
335
Sequence:
MSKRKAPQETLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEAKKLPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSFRRGAESSGDMDVLLTHPSFTSESTKQPKLLHQVVEQLQKVHFITDTLSKGETKFMGVCQLPSKNDEKEYPHRRIDIRLIPKDQYYCGVLYFTGSDIFNKNMRAHALEKGFTINEYTIRPLGVTGVAGEPLPVDSEKDIFDYIQWKYREPKDRSE
  
Inhibitor
Name:
BDBM50222205
Synonyms:
(1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid | 2-alpha-hydroxyursolic acid | 2alpha,2beta-dihydroxy-18beta-ursan-12-ene-28-oic acid | 2alpha,3beta-Dihydroxyurs-12-en-28-oic Acid | CHEMBL391533 | Corosolic acid | US11660306, Example Corosolic acid
Type:
Small organic molecule
Emp. Form.:
C30H48O4
Mol. Mass.:
472.6997
SMILES:
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Structure:
Search PDB for entries with ligand similarity: