Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L2VU5T
|
|||
| Ligand Name |
Ketohexokinase inhibitor 1
|
|||
| Synonyms |
Ketohexokinase inhibitor 1; 2102501-84-6; PF-06835919; 2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid; ketohexokinase-inhibitor-1; CHEMBL4549658; SCHEMBL19024092; SCHEMBL19024093; SCHEMBL19051303; US10174007, Example 4; BDBM319585; EX-A3029; HY-U00461; AT24726; AC-36357; CS-0039434; 2-[(1R,5S)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid; 2-[(1S,5R)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid; S6D
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C16H19F3N4O2
|
|||
| Canonical SMILES |
CC1CCN1C2=NC(=CC(=N2)N3CC4C(C3)C4CC(=O)O)C(F)(F)F
|
|||
| InChI |
1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9?,10-,11+/m0/s1
|
|||
| InChIKey |
MDUYWDNWFXSMJJ-OFLUOSHYSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.