+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PVB |
---|---|
Name | Name: Synonyms: 2-CHLORO-4-{[2-{[(1R)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}-9-(1-METHYLETHYL)-9H-PURIN-6-YL]AMINO}BENZOIC ACID |
-Chemical information
Composition | Formula: C20H25ClN6O3 / Number of atoms: 55 / Formula weight: 432.904 / Formal charge: 0 | ||||||||
---|---|---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PVB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1V0P | ||||||||
History |
| ||||||||
External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
---|
-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.6.1 | |
---|
-PDB entries
Showing all 4 items
PDB-1ckp:
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B
PDB-1v0p:
Structure of P. falciparum PfPK5-Purvalanol B ligand complex
PDB-2x7g:
Structure of human serine-arginine-rich protein-specific kinase 2 (SRPK2) bound to purvalanol B
PDB-6bl8:
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models