Ligand · XAV
XAV · 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
XAV, 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol (C14 H11 F3 N2 O S, 312.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5…
- Component
- XAV
- Formula
- C14 H11 F3 N2 O S
- Class
- ligand
- Structures
- 6
- PDB entries
- 3
Binding sites
XAV in 6 structures; the first of them:
- 3KR8 · Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939 · XAV A1163 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
- 3UH4 · TANKYRASE-1 complexed with NVP-XAV939 · XAV A1 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, PHE1188, TYR1213, PHE1214 and 7 more
- 4R5W · Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939 · XAV A1106 · binds GLU763, ASP766, ASN767, ASP770, TRP861, HIS862, GLY863, SER864 and 8 more
- 3KR8 · Human tankyrase 2 - catalytic parp domain in complex with an inhibitor XAV939 · XAV A1163 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
- 3UH4 · Tankyrase-1 complexed with nvp-XAV939 · XAV A1 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, PHE1188, TYR1213, PHE1214 and 7 more
- 4R5W · Human ARTD1 (PARP1) - catalytic domain in complex with inhibitor XAV939 · XAV A1106 · binds GLU763, ASP766, ASN767, ASP770, TRP861, HIS862, GLY863, SER864 and 8 more
Residues it binds most
TYR 12, PHE 12, SER 12, HIS 12, ALA 12, GLU 12, GLY 12, LYS 12, ASN 4, ASP 4 (residue and the binding sites it lines).
Found with
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