Ki Summary

Reaction Details

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Target

Protein mono-ADP-ribosyltransferase PARP4

Ligand

BDBM50579974

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2146114 (CHEMBL5030394)

IC50

>10000±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

Protein mono-ADP-ribosyltransferase PARP4

Name:

Protein mono-ADP-ribosyltransferase PARP4

Synonyms:

Type:

n/a

Mol. Mass.:

192563.23

Organism:

Homo sapiens (Human)

Description:

Q9UKK3

Residue:

1724

Sequence:

MVMGIFANCIFCLKVKYLPQQQKKKLQTDIKENGGKFSFSLNPQCTHIILDNADVLSQYQ
LNSIQKNHVHIANPDFIWKSIREKRLLDVKNYDPYKPLDITPPPDQKASSSEVKTEGLCP
DSATEEEDTVELTEFGMQNVEIPHLPQDFEVAKYNTLEKVGMEGGQEAVVVELQCSRDSR
DCPFLISSHFLLDDGMETRRQFAIKKTSEDASEYFENYIEELKKQGFLLREHFTPEATQL
ASEQLQALLLEEVMNSSTLSQEVSDLVEMIWAEALGHLEHMLLKPVNRISLNDVSKAEGI
LLLVKAALKNGETAEQLQKMMTEFYRLIPHKGTMPKEVNLGLLAKKADLCQLIRDMVNVC
ETNLSKPNPPSLAKYRALRCKIEHVEQNTEEFLRVRKEVLQNHHSKSPVDVLQIFRVGRV
NETTEFLSKLGNVRPLLHGSPVQNIVGILCRGLLLPKVVEDRGVQRTDVGNLGSGIYFSD
SLSTSIKYSHPGETDGTRLLLICDVALGKCMDLHEKDFSLTEAPPGYDSVHGVSQTASVT
TDFEDDEFVVYKTNQVKMKYIIKFSMPGDQIKDFHPSDHTELEEYRPEFSNFSKVEDYQL
PDAKTSSSTKAGLQDASGNLVPLEDVHIKGRIIDTVAQVIVFQTYTNKSHVPIEAKYIFP
LDDKAAVCGFEAFINGKHIVGEIKEKEEAQQEYLEAVTQGHGAYLMSQDAPDVFTVSVGN
LPPKAKVLIKITYITELSILGTVGVFFMPATVAPWQQDKALNENLQDTVEKICIKEIGTK
QSFSLTMSIEMPYVIEFIFSDTHELKQKRTDCKAVISTMEGSSLDSSGFSLHIGLSAAYL
PRMWVEKHPEKESEACMLVFQPDLDVDLPDLASESEVIICLDCSSSMEGVTFLQAKQIAL
HALSLVGEKQKVNIIQFGTGYKELFSYPKHITSNTMAAEFIMSATPTMGNTDFWKTLRYL
SLLYPARGSRNILLVSDGHLQDESLTLQLVKRSRPHTRLFACGIGSTANRHVLRILSQCG
AGVFEYFNAKSKHSWRKQIEDQMTRLCSPSCHSVSVKWQQLNPDVPEALQAPAQVPSLFL
NDRLLVYGFIPHCTQATLCALIQEKEFRTMVSTTELQKTTGTMIHKLAARALIRDYEDGI
LHENETSHEMKKQTLKSLIIKLSKENSLITQFTSFVAVEKRDENESPFPDIPKVSELIAK
EDVDFLPYMSWQGEPQEAVRNQSLLASSEWPELRLSKRKHRKIPFSKRKMELSQPEVSED
FEEDGLGVLPAFTSNLERGGVEKLLDLSWTESCKPTATEPLFKKVSPWETSTSSFFPILA
PAVGSYLPPTARAHSPASLSFASYRQVASFGSAAPPRQFDASQFSQGPVPGTCADWIPQS
ASCPTGPPQNPPSSPYCGIVFSGSSLSSAQSAPLQHPGGFTTRPSAGTFPELDSPQLHFS
LPTDPDPIRGFGSYHPSASSPFHFQPSAASLTANLRLPMASALPEALCSQSRTTPVDLCL
LEESVGSLEGSRCPVFAFQSSDTESDELSEVLQDSCFLQIKCDTKDDSILCFLEVKEEDE
IVCIQHWQDAVPWTELLSLQTEDGFWKLTPELGLILNLNTNGLHSFLKQKGIQSLGVKGR
ECLLDLIATMLVLQFIRTRLEKEGIVFKSLMKMDDASISRNIPWAFEAIKQASEWVRRTE
GQYPSICPRLELGNDWDSATKQLLGLQPISTVSPLHRVLHYSQG

BDBM50579974

n/a

Name

BDBM50579974

Synonyms:

CHEMBL5090849 | US11926614, Example 154 | US20230322721, Example 154 of WO 2019/243822

Type

Small organic molecule

Emp. Form.

C28H24FN7O2

Mol. Mass.

509.5343

SMILES

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(1.18,-57.78,;2.08,-56.54,;3.59,-56.7,;4.49,-55.47,;6.01,-55.63,;6.9,-54.39,;6.29,-53.01,;4.77,-52.84,;3.87,-54.07,;7.18,-51.78,;6.71,-50.31,;7.95,-49.39,;9.21,-50.31,;10.68,-49.82,;12.05,-50.53,;12.76,-49.16,;11.38,-48.45,;14.23,-48.68,;14.56,-47.17,;13.41,-46.13,;16.03,-46.68,;16.34,-45.17,;17.81,-44.69,;18.97,-45.72,;18.65,-47.24,;19.79,-48.27,;19.48,-49.77,;18,-50.26,;16.86,-49.22,;17.18,-47.72,;8.73,-51.78,;9.63,-53.02,;9,-54.41,;9.9,-55.64,;11.41,-55.48,;12.03,-54.08,;11.13,-52.85,;11.75,-51.45,)|

Structure