Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-2

Ligand

BDBM50579977

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2146090 (CHEMBL5030370)

IC50

1.1±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

BDBM50579977

n/a

Name

BDBM50579977

Synonyms:

CHEMBL5086139

Type

Small organic molecule

Emp. Form.

C29H26FN7O2

Mol. Mass.

523.5608

SMILES

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nc(C)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(54.68,-58.1,;55.58,-56.87,;57.09,-57.03,;57.99,-55.79,;59.51,-55.95,;60.4,-54.72,;59.78,-53.33,;58.27,-53.17,;57.37,-54.4,;60.68,-52.1,;60.21,-50.63,;61.45,-49.72,;62.71,-50.63,;64.18,-50.15,;65.55,-50.85,;66.26,-49.48,;64.88,-48.77,;67.73,-49.01,;68.06,-47.49,;66.91,-46.45,;69.53,-47.01,;69.84,-45.49,;71.31,-45.01,;72.47,-46.05,;72.15,-47.56,;73.29,-48.59,;72.97,-50.1,;74.11,-51.11,;71.5,-50.58,;70.36,-49.55,;70.68,-48.04,;62.23,-52.1,;63.13,-53.34,;62.5,-54.73,;63.39,-55.96,;64.91,-55.8,;65.53,-54.4,;64.63,-53.17,;65.24,-51.78,)|

Structure