Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-2

Ligand

BDBM50579980

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2146090 (CHEMBL5030370)

IC50

2.4±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

BDBM50579980

n/a

Name

BDBM50579980

Synonyms:

CHEMBL5077466 | US11926614, Example 186

Type

Small organic molecule

Emp. Form.

C27H19F4N7O2

Mol. Mass.

549.4791

SMILES

FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(38.11,-15.34,;39.01,-14.11,;38.39,-12.72,;40.52,-14.27,;41.42,-13.03,;42.94,-13.19,;43.84,-11.96,;43.22,-10.57,;41.7,-10.41,;40.8,-11.64,;44.11,-9.35,;43.64,-7.87,;44.88,-6.96,;46.14,-7.87,;47.61,-7.39,;48.98,-8.1,;49.69,-6.72,;48.31,-6.01,;51.17,-6.25,;51.49,-4.73,;50.34,-3.7,;52.97,-4.25,;53.27,-2.73,;54.74,-2.25,;55.05,-.76,;55.9,-3.29,;55.58,-4.8,;56.72,-5.83,;56.41,-7.34,;54.93,-7.82,;53.79,-6.79,;54.11,-5.28,;45.66,-9.35,;46.56,-10.58,;45.93,-11.97,;46.83,-13.2,;48.35,-13.04,;48.96,-11.64,;48.06,-10.41,;48.68,-9.02,)|

Structure