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Target
Protein mono-ADP-ribosyltransferase PARP14
Ligand
BDBM434315
Substrate
n/a
Meas. Tech.
ChEMBL_2210628 (CHEMBL5123577)
IC50
3.0±n/a nM
Citation
 Nizi, MG; Maksimainen, MM; Murthy, S; Massari, S; Alaviuhkola, J; Lippok, BE; Sowa, ST; Galera-Prat, A; Prunskaite-Hyyryläinen, R; Lüscher, B; Korn, P; Lehtiö, L; Tabarrini, O Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur J Med Chem 237:0 (2022) [PubMed] 
Target
Name:
Protein mono-ADP-ribosyltransferase PARP14
Synonyms:
(ARTD8 or PARP14) | (ARTD8 or PARP14, Y1660L) | 2.4.2.- | 2.4.2.30 | ADP-ribosyltransferase diphtheria toxin-like 8 | ARTD8 | B aggressive lymphoma protein 2 | BAL2 | BAL2  | Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14, Y1660L) | KIAA1268 | KIAA1268 GN | KIAA1268 GN | PAR14_HUMAN | PARP-14 | PARP14 | Poly [ADP-ribose] polymerase 14 | Synonyms=BAL2
Type:
n/a
Mol. Mass.:
202812.41
Organism:
Homo sapiens (Human)
Description:
Q460N5
Residue:
1801
Sequence:
MAVPGSFPLLVEGSWGPDPPKNLNTKLQMYFQSPKRSGGGECEVRQDPRSPSRFLVFFYPEDVRQKVLERKNHELVWQGKGTFKLTVQLPATPDEIDHVFEEELLTKESKTKEDVKEPDVSEELDTKLPLDGGLDKMEDIPEECENISSLVAFENLKANVTDIMLILLVENISGLSNDDFQVEIIRDFDVAVVTFQKHIDTIRFVDDCTKHHSIKQLQLSPRLLEVTNTIRVENLPPGADDYSLKLFFENPYNGGGRVANVEYFPEESSALIEFFDRKVLDTIMATKLDFNKMPLSVFPYYASLGTALYGKEKPLIKLPAPFEESLDLPLWKFLQKKNHLIEEINDEMRRCHCELTWSQLSGKVTIRPAATLVNEGRPRIKTWQADTSTTLSSIRSKYKVNPIKVDPTMWDTIKNDVKDDRILIEFDTLKEMVILAGKSEDVQSIEVQVRELIESTTQKIKREEQSLKEKMIISPGRYFLLCHSSLLDHLLTECPEIEICYDRVTQHLCLKGPSADVYKAKCEIQEKVYTMAQKNIQVSPEIFQFLQQVNWKEFSKCLFIAQKILALYELEGTTVLLTSCSSEALLEAEKQMLSALNYKRIEVENKEVLHGKKWKGLTHNLLKKQNSSPNTVIINELTSETTAEVIITGCVKEVNETYKLLFNFVEQNMKIERLVEVKPSLVIDYLKTEKKLFWPKIKKVNVQVSFNPENKQKGILLTGSKTEVLKAVDIVKQVWDSVCVKSVHTDKPGAKQFFQDKARFYQSEIKRLFGCYIELQENEVMKEGGSPAGQKCFSRTVLAPGVVLIVQQGDLARLPVDVVVNASNEDLKHYGGLAAALSKAAGPELQADCDQIVKREGRLLPGNATISKAGKLPYHHVIHAVGPRWSGYEAPRCVYLLRRAVQLSLCLAEKYKYRSIAIPAISSGVFGFPLGRCVETIVSAIKENFQFKKDGHCLKEIYLVDVSEKTVEAFAEAVKTVFKATLPDTAAPPGLPPAAAGPGKTSWEKGSLVSPGGLQMLLVKEGVQNAKTDVVVNSVPLDLVLSRGPLSKSLLEKAGPELQEELDTVGQGVAVSMGTVLKTSSWNLDCRYVLHVVAPEWRNGSTSSLKIMEDIIRECMEITESLSLKSIAFPAIGTGNLGFPKNIFAELIISEVFKFSSKNQLKTLQEVHFLLHPSDHENIQAFSDEFARRANGNLVSDKIPKAKDTQGFYGTVSSPDSGVYEMKIGSIIFQVASGDITKEEADVIVNSTSNSFNLKAGVSKAILECAGQNVERECSQQAQQRKNDYIITGGGFLRCKNIIHVIGGNDVKSSVSSVLQECEKKNYSSICLPAIGTGNAKQHPDKVAEAIIDAIEDFVQKGSAQSVKKVKVVIFLPQVLDVFYANMKKREGTQLSSQQSVMSKLASFLGFSKQSPQKKNHLVLEKKTESATFRVCGENVTCVEYAISWLQDLIEKEQCPYTSEDECIKDFDEKEYQELNELQKKLNINISLDHKRPLIKVLGISRDVMQARDEIEAMIKRVRLAKEQESRADCISEFIEWQYNDNNTSHCFNKMTNLKLEDARREKKKTVDVKINHRHYTVNLNTYTATDTKGHSLSVQRLTKSKVDIPAHWSDMKQQNFCVVELLPSDPEYNTVASKFNQTCSHFRIEKIERIQNPDLWNSYQAKKKTMDAKNGQTMNEKQLFHGTDAGSVPHVNRNGFNRSYAGKNAVAYGKGTYFAVNANYSANDTYSRPDANGRKHVYYVRVLTGIYTHGNHSLIVPPSKNPQNPTDLYDTVTDNVHHPSLFVAFYDYQAYPEYLITFRK
  
Inhibitor
Name:
BDBM434315
Synonyms:
US10562891, Example 235 | US11008308, Example 235
Type:
Small organic molecule
Emp. Form.:
C19H23FN2O3S
Mol. Mass.:
378.461
SMILES:
O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(8.77,-4.62,;7.44,-3.85,;7.44,-2.31,;6.1,-1.54,;4.77,-2.31,;4.77,-3.85,;6.1,-4.62,;3.44,-1.54,;3.44,,;2.1,.77,;.77,,;-.56,.77,;-1.9,,;-3.23,.77,;-4.56,,;-5.9,.77,;-7.23,,;-8.77,,;-8,-1.33,;-3.23,2.31,;-1.9,3.08,;-1.9,4.62,;-.56,2.31,;.77,3.08,;.77,4.62,;2.1,2.31,)|
Structure:
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