+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S28 |
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Name | Name: |
-BIRD information
Type | Peptide-like / Thrombin inhibitor |
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Downloads | Molecular definition / Chemical definition / Family definition |
Synonyms |
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Annotation |
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External info | |
Family | X-Pro-Aminomethyl-benzenecarboximidamide-containing inhibitor N-(BENZYLSULFONYL)GLYCYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE / N-(BENZYLSULFONYL)-D-ALANYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE / N-(BENZYLSULFONYL)-D-VALYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE ...N-(BENZYLSULFONYL)GLYCYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE / N-(BENZYLSULFONYL)-D-ALANYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE / N-(BENZYLSULFONYL)-D-VALYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE / N-(BENZYLSULFONYL)-3-CYCLOHEXYL-D-ALANYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE / (2S)-1-[(2R)-2-(BENZYLSULFONYLAMINO)-5-GUANIDINO-PENTANOYL]-N-[(4-CARBAMIMIDOYLPHENYL)METHYL]PYRROLIDINE-2-CARBOXAMIDE / N-(BENZYLSULFONYL)-D-LEUCYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE |
-Chemical information
Composition | Formula: C22H27N5O4S / Number of atoms: 59 / Formula weight: 457.546 / Formal charge: 0 | ||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: S28 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3RLW / Subcomponent: PMS, GLY, PRO, 00S | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | [ | |
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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 | OpenEye OEToolkits 1.7.2 | ( | |
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-PDB entries
Showing all 1 items
PDB-3rlw:
Human Thrombin in complex with MI328