Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-2

Ligand

BDBM50579963

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2146090 (CHEMBL5030370)

IC50

8.5±n/a nM

Citation

Leenders, RGG; Brinch, SA; Sowa, ST; Amundsen-Isaksen, E; Galera-Prat, A; Murthy, S; Aertssen, S; Smits, JN; Nieczypor, P; Damen, E; Wegert, A; Nazar�, M; Lehti�, L; Waaler, J; Krauss, S Development of a 1,2,4-Triazole-Based Lead Tankyrase Inhibitor: Part II. J Med Chem64:17936-17949 (2021) [PubMed] Article

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

BDBM50579963

n/a

Name

BDBM50579963

Synonyms:

CHEMBL5078964 | US11926614, Example 160

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-c1ccccn1 |r,wU:15.18,wD:13.13,(17.43,-12.23,;18.05,-13.63,;19.58,-13.79,;20.48,-12.55,;22.02,-12.71,;22.92,-11.47,;22.3,-10.07,;20.77,-9.91,;19.86,-11.15,;23.19,-8.84,;22.72,-7.37,;23.96,-6.45,;25.22,-7.37,;26.68,-6.88,;28.05,-7.59,;28.76,-6.22,;27.39,-5.51,;30.23,-5.74,;30.55,-4.23,;29.4,-3.2,;32.02,-3.75,;32.33,-2.24,;33.79,-1.76,;34.95,-2.79,;34.63,-4.31,;35.77,-5.33,;35.46,-6.84,;36.6,-7.86,;33.98,-7.32,;32.84,-6.28,;33.17,-4.78,;24.74,-8.84,;25.64,-10.07,;25.01,-11.48,;25.91,-12.72,;27.44,-12.56,;28.06,-11.15,;27.16,-9.91,)|

Structure