Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-2

Ligand

BDBM624865

Substrate/Competitor

n/a

Meas. Tech.

Biochemical Assay

IC50

1.30±n/a nM

Citation

KRAUSS, S; WAALER, J; WEGERT, A; LEENDERS, RG; LEHTIO, L TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS US Patent US20230322721 Publication Date 10/12/2023

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

BDBM624865

n/a

Name

BDBM624865

Synonyms:

US20230322721, Example 23

Type

Small organic molecule

Emp. Form.

C29H25FN6O3

Mol. Mass.

524.5456

SMILES

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cc(O)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.9,.68,;-10.28,-.82,;-9,-1.68,;-7.75,-.77,;-6.35,-1.4,;-5.1,-.5,;-5.26,1.04,;-6.67,1.66,;-7.92,.76,;-4.02,1.94,;-4.02,3.48,;-2.55,3.96,;-1.65,2.71,;-.11,2.71,;.98,1.62,;2.07,2.71,;.98,3.8,;3.61,2.71,;4.38,1.38,;3.61,.04,;5.92,1.38,;6.69,2.71,;8.23,2.71,;9,1.38,;8.23,.04,;9,-1.29,;8.23,-2.62,;9,-3.96,;6.69,-2.62,;5.92,-1.29,;6.69,.04,;-2.55,1.47,;-2.08,0,;-3.11,-1.14,;-2.63,-2.61,;-1.12,-2.93,;-.09,-1.78,;-.57,-.32,;.46,.83,)|

Structure