[English] 日本語
Yorodumi- ChemComp-L3D: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-m... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: L3D | ||||
---|---|---|---|---|---|
Name | Name: (Wikipedia | Wikipedia - BI 224436: BI 224436 was an investigational new drug under development for the treatment of HIV infection. BI 224436 is the first non-catalytic site integrase inhibitor (NCINI)... | Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C27H26N2O4 / Number of atoms: 59 / Formula weight: 442.506 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L3D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6NUJ | ||||
History |
| ||||
External links | BindingDB / UniChem / ChEMBL / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.7 | ( | |
---|
-PDB entries
Showing all 3 items
PDB-6nuj:
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor BI-224436
PDB-8ct7:
Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436
PDB-8cta:
Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains