Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T38087 | Target Info | |||
| Target Name | Tankyrase-2 (TNKS-2) | ||||
| Synonyms | Tankyrase-related protein; Tankyrase-like protein; Tankyrase II; TRF1-interacting ankyrin-related ADP-ribose polymerase 2; TNKL; TANK2; Protein poly-ADP-ribosyltransferase tankyrase-2; Poly [ADP-ribose] polymerase tankyrase-2; Poly [ADP-ribose] polymerase 5B; PARP5B; ARTD6; ADP-ribosyltransferase diphtheria toxin-like 6 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TNKS2 | ||||
| Biochemical Class | Glycosyltransferases | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 5-Aminoisoquinolin-1(4h)-One | Ligand Info | |||
| Canonical SMILES | C1C=NC(=O)C2=C1C(=CC=C2)N | ||||
| InChI | 1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3,5H,4,10H2 | ||||
| InChIKey | UMWAQUVIYVQOLI-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 11557468 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4UVL Crystal structure of human tankyrase 2 in complex with 5-amino-1,2- dihydroisoquinolin-1-one | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 MAHSPPGHHS1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE |
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| PDB ID: 4PNQ Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [2] |
| PDB Sequence |
PDDKEFQSVE
969 EEMQSTVREH979 RDGGHAGGIF989 NRYNILKIQK999 VCNKKLWERY1009 THRRKEVSEE 1019 NHNHANERML1029 FHGSPFVNAI1039 IHKGFDERHA1049 YIGGMFGAGI1059 YFAENSSKSN 1069 QYVYGIGGGT1079 GCPVHKDRSC1089 YICHRQLLFC1099 RVTLGKSFLQ1109 FSAMKMAHSP 1119 PGHHSVTGRP1129 SVNGLALAEY1139 VIYRGEQAYP1149 EYLITYQIMR1159 PE |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Exploration of the nicotinamide-binding site of the tankyrases, identifying 3-arylisoquinolin-1-ones as potent and selective inhibitors in vitro. Bioorg Med Chem. 2015 Sep 1;23(17):5891-908. | ||||
| REF 2 | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr D Biol Crystallogr. 2014 Oct;70(Pt 10):2740-53. | ||||
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