+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4UR |
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Name | Name: Synonyms: 2-amino-9-[(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11,2,10] ...Synonyms: 2-amino-9-[(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-14-yl]-1,9-dihydro-6H-purin-6-one |
-Chemical information
Composition | Formula: C20H24N10O13P2 / Number of atoms: 69 / Formula weight: 674.411 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4UR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5BQX | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 5 items
PDB-5bqx:
Crystal structure of human STING in complex with 3'2'-cGAMP
PDB-7mwz:
Structure of drosophila STING in complex with 3'2'-cGAMP
PDB-7rws:
Structure of SAVED domain of Cap5 from Lactococcus lactis in complex with cGAMP
PDB-8fmh:
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-dGAMP ligand (2 tetramers in the AU)
PDB-8ixz:
Structure of Acb2 complexed with 3',2'-cGAMP