Ki Summary

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Target

Poly [ADP-ribose] polymerase tankyrase-2

Ligand

BDBM50579967

Substrate/Competitor

n/a

Meas. Tech.

Biochemical Assay

IC50

2.90±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

BDBM50579967

n/a

Name

BDBM50579967

Synonyms:

CHEMBL5082990 | US11926614, Example 170

Type

Small organic molecule

Emp. Form.

C27H23FN8O2

Mol. Mass.

510.5223

SMILES

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccncc1 |r,wU:15.18,wD:13.13,(18.68,-26.64,;19.58,-25.4,;21.11,-25.56,;22.01,-24.32,;23.55,-24.48,;24.45,-23.23,;23.83,-21.83,;22.3,-21.67,;21.39,-22.91,;24.73,-20.6,;24.26,-19.13,;25.5,-18.21,;26.75,-19.13,;28.21,-18.64,;29.59,-19.35,;30.3,-17.97,;28.92,-17.27,;31.77,-17.5,;32.09,-15.99,;30.94,-14.95,;33.56,-15.51,;33.87,-14,;35.33,-13.51,;36.5,-14.55,;36.18,-16.06,;37.32,-17.09,;37,-18.59,;38.14,-19.62,;35.53,-19.08,;34.38,-18.04,;34.71,-16.53,;26.27,-20.6,;27.17,-21.84,;26.54,-23.24,;27.44,-24.48,;28.97,-24.33,;29.6,-22.91,;28.69,-21.68,)|

Structure