Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
TNKS2_HUMAN
Ligand General Information  Top
Ligand Name Nicotinamide Ligand Info
Canonical SMILES C1=CC(=CN=C1)C(=O)N
InChI 1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey DFPAKSUCGFBDDF-UHFFFAOYSA-N
PubChem Compound ID 936
Drug Binding Sites of Target  Top
PDB ID: 3U9H      Complex structure of human tankyrase 2 with nicotinamide
Method X-ray diffraction Resolution 1.75 Å Mutation No [1]
PDB Sequence
GTILIDLSPD
961
DKEFQSVEEE
971
MQSTVREHRD
981
GGHAGGIFNR
991
YNILKIQKVC
1001

NKKLWERYTH
1011
RRKEVSEENH
1021
NHANERMLFH
1031
GSPFVNAIIH
1041
KGFDERHAYI
1051

GGMFGAGIYF
1061
AENSSKSNQY
1071
VYGIGGGTGC
1081
PVHKDRSCYI
1091
CHRQLLFCRV
1101

TLGKSFLQFS
1111
AMAHSPPGHH
1123
SVTGRPSVNG
1133
LALAEYVIYR
1143
GEQAYPEYLI
1153

TYQIMRPE
Residue
Distance (Å)
PHE1030
3.997
HIS1031
3.414
GLY1032
2.846
TYR1060
3.509
PHE1061
3.346
Residue
Distance (Å)
ALA1062
3.622
LYS1067
3.896
SER1068
2.893
TYR1071
3.415
GLU1138
3.312
PDB ID: 4HYF      Structural basis and SAR for OD 270, a lead stage 1,2,4-triazole based specific Tankyrase1/2 inhibitor
Method X-ray diffraction Resolution 2.80 Å Mutation No [2]
PDB Sequence
GTENLYFQSM
945
LNTSGSGTIL
955
IDLSPDDKEF
965
QSVEEEMQST
975
VREHRDGGHA
985

GGIFNRYNIL
995
KIQKVCNKKL
1005
WERYTHRRKE
1015
VSEENHNHAN
1025
ERMLFHGSPF
1035

VNAIIHKGFD
1045
ERHAYIGGMF
1055
GAGIYFAENS
1065
SKSNQYVYGI
1075
GGGTGCPVHK
1085

DRSCYICHRQ
1095
LLFCRVTLGK
1105
SFLQFSAMKM
1115
AHSPPGHHSV
1125
TGRPSVNGLA
1135

LAEYVIYRGE
1145
QAYPEYLITY
1155
QIMRPEG
Residue
Distance (Å)
PHE1030
4.276
HIS1031
3.426
GLY1032
2.705
SER1033
4.911
TYR1060
3.477
PHE1061
3.068
Residue
Distance (Å)
ALA1062
3.546
LYS1067
4.405
SER1068
3.023
TYR1071
3.235
GLU1138
3.695
References  Top
REF 1 Structural basis of selective inhibition of human tankyrases. J Med Chem. 2012 Feb 9;55(3):1360-7.
REF 2 Structural basis and SAR for G007-LK, a lead stage 1,2,4-triazole based specific tankyrase 1/2 inhibitor. J Med Chem. 2013 Apr 11;56(7):3012-23.

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