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Yorodumi- ChemComp-BM2: S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAP... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BM2 |
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Name | Name: Synonyms: BMS-186282 |
-Chemical information
Composition | Formula: C23H32N6O5S / Number of atoms: 67 / Formula weight: 504.602 / Formal charge: 0 | ||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: BM2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1BMM / Subcomponent: ALG, P2Y, SER, NAS | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / 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 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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 12.01 | OpenEye OEToolkits 1.7.0 | |
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-PDB entries
Showing all 1 items
PDB-1bmm:
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY-2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE (BMS-186282)