Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-2

Ligand

BDBM50541704

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1985232 (CHEMBL4618638)

IC50

1.8±n/a nM

Citation

Waaler, J; Leenders, RGG; Sowa, ST; Alam Brinch, S; Lycke, M; Nieczypor, P; Aertssen, S; Murthy, S; Galera-Prat, A; Damen, E; Wegert, A; Nazar�, M; Lehti�, L; Krauss, S Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J Med Chem63:6834-6846 (2020) [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

BDBM50541704

n/a

Name

BDBM50541704

Synonyms:

CHEMBL4636903 | US11926614, Example 191

Type

Small organic molecule

Emp. Form.

C26H19F2N7O

Mol. Mass.

483.4722

SMILES

Fc1cnc2c(ccnc2c1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccccn2)n1-c1ccccc1F |r,wU:14.15,wD:16.20,(49.33,-53.53,;49.01,-52.02,;47.54,-51.55,;47.22,-50.05,;48.36,-49.03,;48.04,-47.52,;49.17,-46.49,;50.64,-46.96,;50.96,-48.47,;49.82,-49.5,;50.14,-50.99,;46.58,-47.05,;46.26,-45.54,;45.43,-48.08,;43.97,-47.6,;42.59,-48.3,;41.9,-46.92,;43.27,-46.23,;40.43,-46.45,;39.96,-44.98,;38.42,-44.98,;37.94,-46.45,;36.48,-46.92,;36.16,-48.42,;34.71,-48.9,;33.55,-47.87,;33.87,-46.36,;35.34,-45.89,;39.19,-47.35,;39.19,-48.89,;37.85,-49.66,;37.85,-51.19,;39.19,-51.97,;40.52,-51.19,;40.52,-49.65,;41.85,-48.88,)|

Structure