+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TIF |
---|---|
Name | Name: |
-BIRD information
Type | Peptide-like / Thrombin inhibitor |
---|---|
Downloads | Molecular definition / Chemical definition / Family definition |
Synonyms |
|
Annotation |
|
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: C26H35N5O4S / Number of atoms: 71 / Formula weight: 513.652 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: TIF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UWJ / Subcomponent: PMS, DLE, PRO, 00S | ||||
History |
| ||||
External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
---|
-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | [ | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | ( | |
---|
-PDB entries
Showing all 1 items
PDB-3uwj:
Human Thrombin In Complex With MI353