Reaction Details Report a problem with these data
Target
Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN [517-1238]
Ligand
BDBM646481
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic Activity Assay on WRN Helicase
IC50
30.0±n/a nM
Citation
 Bordas, V; Brun, J; Furegati, M; Hamon, J; Hinrichs, JH; Holzer, P; Limam, F; Möbitz, H; Nocito, S; Plattner, S; Schmiedeberg, N; Schoepfer, J; Strang, RS; Zecri, F Bicyclic compounds and their uses US Patent  US11878973 Publication Date 1/23/2024 
Target
Name:
Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN [517-1238]
Synonyms:
Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN (517-1238)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
81717.91
Organism:
Homo sapiens (Human)
Description:
Q14191[517-1238]
Residue:
722
Sequence:
NEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHCYSMDDSEDTSWDFGPQAFKLLSAVDILGEKFGIGLPILFLRGSNSQRLADQYRRHSLFGTGKDQTESWWKAFSRQLITEGFLVEVSRYNKFMKICALTKKGRNWLHKANTESQSLILQANEELCPKKLLLPSSKTVSSGTKEHCYNQVPVELSTEKKSNLEKLYSYKPCDKISSGSNISKKSIMVQSPEKAYSSSQPVISAQEQETQIVLYGKLVEARQKHANKMDVPPAILATNKILVDMAKMRPTTVENVKRIDGVSEGKAAMLAPLLEVIKHFCQTNSVQTDLFSSTKP
  
Inhibitor
Name:
BDBM646481
Synonyms:
N-(2-chloro-4-(trifluoromethyl)phenyl)-2-(2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-((1 S,6S)-5-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2,5-diazabicyclo[4.2.0]octan-2-yl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl)acetamide | US11878973, Example 125
Type:
Small organic molecule
Emp. Form.:
C33H33ClF3N9O5
Mol. Mass.:
728.121
SMILES:
CCc1c(N2CCN([C@H]3CC[C@H]23)C(=O)c2ncnc(C)c2O)c(=O)n2nc(nc2n1CC(=O)Nc1ccc(cc1Cl)C(F)(F)F)C1=CCOCC1 |r,t:51|
Structure:
Search PDB for entries with ligand similarity: