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Yorodumi- ChemComp-4P2: (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsul... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4P2 |
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Name | Name: (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12- ...Name: ( |
-Chemical information
Composition | Formula: C41H53N5O8S / Number of atoms: 108 / Formula weight: 775.953 / Formal charge: 0 | ||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: 4P2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2M8Q / Subcomponent: 2KX, 2KY, HYP, 0Y9, 0YA | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | ( |
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-PDB entries
Showing all 1 items
PDB-6fe6:
Solution structure of a last generation P2-P4 macrocyclic inhibitor