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Target
Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN [517-1238]
Ligand
BDBM646409
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic Activity Assay on WRN Helicase
IC50
40.0±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:
BDBM646409
Synonyms:
US11878973, Example 89
Type:
Small organic molecule
Emp. Form.:
C31H31F3N8O5
Mol. Mass.:
652.6236
SMILES:
C[C@@H]1CN(CCN1C(=O)c1ncccc1O)c1c(C)n(CC(=O)Nc2ccc(cc2)C(F)(F)F)c2nc(nn2c1=O)C1=CCOCC1 |r,t:46|
Structure:
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