Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L8M5PW
|
|||
| Ligand Name |
3-[{2-[(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)amino]pyrimidin-4-Yl}(1h-Indazol-4-Yl)amino]propan-1-Ol
|
|||
| Synonyms |
3-[{2-[(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)amino]pyrimidin-4-Yl}(1h-Indazol-4-Yl)amino]propan-1-Ol; SCHEMBL5591752; BDBM225517; GTC000226A; GTC000226B; Q27454623; 4DN
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C21H21N7O3S
|
|||
| Canonical SMILES |
C1C2=C(C=C(C=C2)NC3=NC=CC(=N3)N(CCCO)C4=CC=CC5=C4C=NN5)S(=O)(=O)N1
|
|||
| InChI |
1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
|
|||
| InChIKey |
XIWBNOAYPAXNEG-UHFFFAOYSA-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.