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Yorodumi- ChemComp-8DR: (S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-ca... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8DR |
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Name | Name: ( Synonyms: (2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid |
-Chemical information
Composition | Formula: C17H19N7O5S3 / Number of atoms: 51 / Formula weight: 497.572 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8DR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3I97 | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 11.02 | OpenEye OEToolkits 1.6.1 | ( | |
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-PDB entries
Showing all 1 items
PDB-3i97:
B1 domain of human Neuropilin-1 bound with small molecule EG00229