ChemComp-A6R: arsenoplatin-1

Basic information

• Entry: Database: PDB chemical components / ID: A6R
• Name: Name: arsenoplatin-1

Chemical information

Composition

Formula: C₄H₈AsN₂O₄Pt / Number of atoms: 20 / Formula weight: 418.117 / Formal charge: 0

Others

5nj7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A6R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NJ7

History

Create component	Mar 28, 2017
Other modification	Mar 28, 2017
Other modification	Mar 29, 2017
Initial release	May 16, 2018

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: CC1=N[Pt]2N=C(C)O[As]2(O)(O)O1
• OpenEye OEToolkits 2.0.6: CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C

SMILES CANONICAL

• CACTVS 3.385: CC1=N[Pt]2N=C(C)O[As]2(O)(O)O1
• OpenEye OEToolkits 2.0.6: CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C

InChI

• InChI 1.03: InChI=1S/C4H8AsN2O4.Pt/c1-3(6)10-5(8,9)11-4(2)7;/h8-9H,1-2H3;/q-1;+1

InChIKey

• InChI 1.03: OPINMBLEOXZNNE-UHFFFAOYSA-N

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.6: 3,7-dimethyl-1,1-bis(oxidanyl)-2,8-dioxa-4,6-diaza-1$l^{5}-arsa-5$l^{3}-platinabicyclo[3.3.0]octa-3,6-diene

PDB entries

Showing all 6 items

PDB-5nj1:
The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and arsenoplatin-1

PDB-5nj7:
The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and arsenoplatin-1

PDB-6zs8:
X-ray structure of the adduct formed upon treating lysozyme with an aged solution of arsenoplatin-1

PDB-7bd7:
X-ray structure of Arsenoplatin-1-encapsulated horse spleen ferritin

PDB-8c63:
Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 4 h of soaking

PDB-8c64:
Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 48 h of soaking