+Open data
-Basic information
Entry | Database: PDB chemical components / ID: KLQ | ||||
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Name | Name: Wikipedia | Wikipedia - Bictegravir: |
Bictegravir (INN; BIC, formerly known as GS-9883) is a second-generation integrase inhibitor (INSTI) class that was structurally derived from an earlier compound dolutegravir by scientists at Gilead Sciences. In vitro and clinical results were presented by Gilead in the summer of 2016... Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C21H18F3N3O5 / Number of atoms: 50 / Formula weight: 449.38 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KLQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RWO | ||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / DailyMed / DrugBank / PubChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 4 items
PDB-6puw:
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and Bictegravir (BIC)
PDB-6rwm:
SIVrcm intasome in complex with bictegravir
PDB-6rwo:
SIVrcm intasome (Q148H/G140S) in complex with bictegravir
PDB-7ouh:
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir