Ki Summary

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Target

Poly [ADP-ribose] polymerase tankyrase-2

Ligand

BDBM657072

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

BDBM657072

n/a

Name

BDBM657072

Synonyms:

US11926614, Example 57

Type

Small organic molecule

Emp. Form.

C28H23F2N7O2

Mol. Mass.

527.5247

SMILES

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;9.56,-1.18,;10.33,-2.51,;8.02,-1.18,;7.25,.15,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

Structure