Ki Summary

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Target

Poly [ADP-ribose] polymerase tankyrase-2

Ligand

BDBM657076

Substrate/Competitor

n/a

Meas. Tech.

Biochemical Assay

IC50

2.00±n/a nM

Citation

Krauss, S; Nazare, M; Lehtio, L; Waaler, J; Wegert, A; Leenders, RG 1,2,4-triazole derivatives as tankyrase inhibitors US Patent US11926614 Publication Date 3/12/2024

More Info.:

Get all data from this article, Assay Method

Poly [ADP-ribose] polymerase tankyrase-2

Name:

Poly [ADP-ribose] polymerase tankyrase-2

Synonyms:

Type:

Enzyme

Mol. Mass.:

126937.16

Organism:

Homo sapiens (Human)

Description:

Q9H2K2

Residue:

1166

Sequence:

MSGRRCAGGGAACASAAAEAVEPAARELFEACRNGDVERVKRLVTPEKVNSRDTAGRKST
PLHFAAGFGRKDVVEYLLQNGANVQARDDGGLIPLHNACSFGHAEVVNLLLRHGADPNAR
DNWNYTPLHEAAIKGKIDVCIVLLQHGAEPTIRNTDGRTALDLADPSAKAVLTGEYKKDE
LLESARSGNEEKMMALLTPLNVNCHASDGRKSTPLHLAAGYNRVKIVQLLLQHGADVHAK
DKGDLVPLHNACSYGHYEVTELLVKHGACVNAMDLWQFTPLHEAASKNRVEVCSLLLSYG
ADPTLLNCHNKSAIDLAPTPQLKERLAYEFKGHSLLQAAREADVTRIKKHLSLEMVNFKH
PQTHETALHCAAASPYPKRKQICELLLRKGANINEKTKEFLTPLHVASEKAHNDVVEVVV
KHEAKVNALDNLGQTSLHRAAYCGHLQTCRLLLSYGCDPNIISLQGFTALQMGNENVQQL
LQEGISLGNSEADRQLLEAAKAGDVETVKKLCTVQSVNCRDIEGRQSTPLHFAAGYNRVS
VVEYLLQHGADVHAKDKGGLVPLHNACSYGHYEVAELLVKHGAVVNVADLWKFTPLHEAA
AKGKYEICKLLLQHGADPTKKNRDGNTPLDLVKDGDTDIQDLLRGDAALLDAAKKGCLAR
VKKLSSPDNVNCRDTQGRHSTPLHLAAGYNNLEVAEYLLQHGADVNAQDKGGLIPLHNAA
SYGHVDVAALLIKYNACVNATDKWAFTPLHEAAQKGRTQLCALLLAHGADPTLKNQEGQT
PLDLVSADDVSALLTAAMPPSALPSCYKPQVLNGVRSPGATADALSSGPSSPSSLSAASS
LDNLSGSFSELSSVVSSSGTEGASSLEKKEVPGVDFSITQFVRNLGLEHLMDIFEREQIT
LDVLVEMGHKELKEIGINAYGHRHKLIKGVERLISGQQGLNPYLTLNTSGSGTILIDLSP
DDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEEN
HNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTG
CPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMKMAHSPPGHHSVTGRPSVNGLALAEYV
IYRGEQAYPEYLITYQIMRPEGMVDG

BDBM657076

n/a

Name

BDBM657076

Synonyms:

US11926614, Example 30

Type

Small organic molecule

Emp. Form.

C23H21FN6O2S

Mol. Mass.

464.515

SMILES

CCOc1ccc(nc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1F |r,wU:12.12,wD:14.17,(10.25,4.15,;8.71,4.15,;7.94,2.82,;6.4,2.82,;5.63,4.15,;4.09,4.15,;3.32,2.82,;4.09,1.48,;5.63,1.48,;1.78,2.82,;1.04,4.17,;1.01,1.48,;-.53,1.48,;-1.58,.36,;-2.71,1.41,;-1.65,2.53,;-4.25,1.44,;-5.15,2.69,;-6.62,2.21,;-6.62,.67,;-7.88,-.2,;-9.35,.27,;-10.25,-.97,;-9.35,-2.22,;-7.88,-1.74,;-5.15,.2,;-4.65,-1.26,;-5.66,-2.43,;-5.15,-3.88,;-3.64,-4.17,;-2.63,-3,;-3.14,-1.55,;-2.09,-.43,)|

Structure