Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LB1ES9
|
|||
| Ligand Name |
[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
|
|||
| Synonyms |
[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate; F0H
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C35H34ClFN6O4
|
|||
| Canonical SMILES |
C1CC=CCCC(C1)OC(=O)NCCC#CC2=NC=CC(=C2)NC3=NC=CC(=N3)C4=CC(=O)N(C=C4)C(CO)C5=CC(=C(C=C5)Cl)F
|
|||
| InChI |
1S/C35H34ClFN6O4/c36-29-12-11-25(20-30(29)37)32(23-44)43-19-15-24(21-33(43)45)31-14-18-39-34(42-31)41-27-13-17-38-26(22-27)8-6-7-16-40-35(46)47-28-9-4-2-1-3-5-10-28/h1-2,11-15,17-22,28,32,44H,3-5,7,9-10,16,23H2,(H,40,46)(H,38,39,41,42)/b2-1-/t28-,32+/m0/s1
|
|||
| InChIKey |
ORLWNASDTJFKIF-ABXFUJLBSA-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.