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Open data
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Basic information
Entry | ![]() |
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Name | Name: |
-BIRD information
Type | Peptide-like / Thrombin inhibitor |
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Annotation |
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External info | |
Family | peptide-like serine protease inhibitor with central Proline residue (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide / (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide / N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide ...(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide / (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide / N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide / N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide / N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide / 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide / D-leucyl-N-(3-chlorobenzyl)-L-prolinamide / D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide / 1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide / N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide / N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide / 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide / D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide / D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide / beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide / D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide / (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide / (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide / (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide / (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide / D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide / D-phenylalanyl-N-benzyl-L-prolinamide / 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide / N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide / N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-({4-[(E)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-L-prolinamide / N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-({5-[(E)-amino(imino)methyl]thien-2-yl}methyl)-L-prolinamide / 3-cyclohexyl-D-alanyl-L-prolyl-N~2~-methyl-L-arginine / D-PHENYLALANYL-N-[(1-METHYLPYRIDINIUM-3-YL)METHYL]-L-PROLINAMIDE / D-PHENYLALANYL-N-[(1-METHYLPYRIDINIUM-4-YL)METHYL]-L-PROLINAMIDE / D-PHENYLALANYL-N-[(4-CHLORO-1-METHYLPYRIDINIUM-3-YL)METHYL]-L-PROLINAMIDE / D-PHENYLALANYL-N-[(4-CHLORO-1-METHYLPYRIDINIUM-2-YL)METHYL]-L-PROLINAMIDE / D-PHENYLALANYL-N-(PYRIDIN-3-YLMETHYL)-L-PROLINAMIDE / D-PHENYLALANYL-N-[(4-CHLOROPYRIDIN-3-YL)METHYL]-L-PROLINAMIDE / D-PHENYLALANYL-N-[(4-CHLOROPYRIDIN-2-YL)METHYL]-L-PROLINAMIDE / D-PHENYLALANYL-N-(PYRIDIN-2-YLMETHYL)-L-PROLINAMIDE / D-PHENYLALANYL-N-(PYRIDIN-4-YLMETHYL)-L-PROLINAMIDE / D-PHENYLALANYL-N-[(1-METHYLPYRIDINIUM-2-YL)METHYL]-L-PROLINAMIDE / N-(METHYLSULFONYL)-D-PHENYLALANYL-N-[(1-CARBAMIMIDOYLPIPERIDIN-4-YL)METHYL]-L-PROLINAMIDE / RWJ-30353 / RWJ-51438 |
-Chemical information
Composition | |||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: B03 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SI3 / Subcomponent: DPN, PRO, APY | ||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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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
![](data/pdb/img/3si3.jpg)
PDB-3si3:
Human Thrombin In Complex With UBTHR103