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Target
Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN [517-1238]
Ligand
BDBM646438
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic Activity Assay on WRN Helicase
IC50
20.0±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:
BDBM646438
Synonyms:
US11878973, Example 40
Type:
Small organic molecule
Emp. Form.:
C31H29ClF4N8O5
Mol. Mass.:
705.059
SMILES:
CCc1c(N2CCN(CC2)C(=O)c2nccc(F)c2O)c(=O)n2nc(nc2n1CC(=O)Nc1ccc(cc1Cl)C(F)(F)F)C1=CCOCC1 |t:48|
Structure:
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