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Target
Poly [ADP-ribose] polymerase tankyrase-1
Ligand
BDBM50007583
Substrate
n/a
Meas. Tech.
ChEMBL_1338770 (CHEMBL3242393)
IC50
131±n/a nM
Citation
 Liscio, P; Carotti, A; Asciutti, S; Karlberg, T; Bellocchi, D; Llacuna, L; Macchiarulo, A; Aaronson, SA; Schüler, H; Pellicciari, R; Camaioni, E Design, synthesis, crystallographic studies, and preliminary biological appraisal of new substituted triazolo[4,3-b]pyridazin-8-amine derivatives as tankyrase inhibitors. J Med Chem 57:2807-12 (2014) [PubMed]  Article 
Target
Name:
Poly [ADP-ribose] polymerase tankyrase-1
Synonyms:
ADP-ribosyltransferase diphtheria toxin-like 5 | ARTD5 | TANK1 | TNKS1_MOUSE | TRF1-interacting ankyrin-related ADP-ribose polymerase 1 | Tankyrase I | Tankyrase-1 | Tnks | Tnks1
Type:
PROTEIN
Mol. Mass.:
140962.94
Organism:
Mus musculus
Description:
ChEMBL_108290
Residue:
1320
Sequence:
MAASRRSQHHHHHHQQQLQPAPGASAPPPPPPPPLSPGLAPGPTPASPTAGGLAPFASPRHGLALPEGDGSRDPPDRPRSPDPVDGAVCTVAAPAAVPAASAAVGVAPTPAGGGGGGGNNSASSASSPTSSSSSSPSSPGSSLAESPEAAGVGSTATLGAGAAGLGPGVPAVSGALRELLEACRNGDVSRVKRLVDAANVNAKDMAGRKSSPLHFAAGFGRKDVVEHLLQMGANVHARDDGGLIPLHNACSFGHAEVVSLLLCQGADPNARDNWNYTPLHEAAIKGKIDVCIVLLQHGADPNIRNTDGKSALDLADPSAKAVLTGEYKKDELLEAARSGNEEKLMALLTPLNVNCHASDGRKSTPLHLAAGYNRVRIVQLLLQHGADVHAKDKGGLVPLHNACSYGHYEVTELLLKHGACVNAMDLWQFTPLHEAASKNRVEVCSLLLSHGADPTLVNCHGKSAVDMAPTPELRERLTYEFKGHSLLQAAREADLAKVKKTLALEIINFKQPQSHETALHCAVASLHPKRKQVAELLLRKGANVNEKNKDFMTPLHVAAERAHNDVMEVLHKHGAKMNALDSLGQTALHRAALAGHLQTCRLLLSYGSDPSIISLQGFTAAQMGNEAVQQILSESTPMRTSDVDYRLLEASKAGDLETVKQLCSPQNVNCRDLEGRHSTPLHFAAGYNRVSVVEYLLHHGADVHAKDKGGLVPLHNACSYGHYEVAELLVRHGASVNVADLWKFTPLHEAAAKGKYEICKLLLKHGADPTKKNRDGNTPLDLVKEGDTDIQDLLRGDAALLDAAKKGCLARVQKLCTPENINCRDTQGRNSTPLHLAAGYNNLEVAEYLLEHGADVNAQDKGGLIPLHNAASYGHVDIAALLIKYNTCVNATDKWAFTPLHEAAQKGRTQLCALLLAHGADPTMKNQEGQTPLDLATADDIRALLIDAMPPEALPTCFKPQATVVSASLISPASTPSCLSAASSIDNLTGPLTDLAVGGASNAGDGAAGAERKEGEVAGLDMNISQFLKSLGLEHLRDIFETEQITLDVLADMGHEELKEIGINAYGHRHKLIKGVERLLGGQQGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTATAAEQKT
  
Inhibitor
Name:
BDBM50007583
Synonyms:
CHEBI:62882 | CHEMBL562310
Type:
Small organic molecule
Emp. Form.:
C25H19N3O3
Mol. Mass.:
409.4367
SMILES:
[H][C@]12C[C@]([H])(C=C1)[C@]1([H])C(=O)N(C(=O)[C@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:5|
Structure:
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