27U/PRD_000597
N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide
27U/PRD_000597 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 2ZHQ.
Find entries where PRD_000597 is present
Chemical Component Summary | |
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Name | N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide |
Identifiers | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide |
Formula | C22 H26 N4 O2 |
Molecular Weight | 378.467 |
Type | NON-POLYMER |
Isomeric SMILES | [H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N |
InChI | InChI=1S/C22H26N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,19H,4,7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1 |
InChIKey | RNZKCCPFUWHBFY-IBGZPJMESA-N |
Composition | Polymer Sequences: HCI-PRO-00S |
BIRD class | THROMBIN INHIBITOR |
Represented As | SINGLE MOLECULE |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 54 |
Chiral Atom Count | 1 |
Bond Count | 56 |
Aromatic Bond Count | 12 |
Drug Info: DrugBank
DrugBank ID | DB06942 |
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Name | N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide |
Groups | experimental |
Description | N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide is a solid. This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids. This medication targets the protein prothrombin. |
Synonyms | N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
Prothrombin | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEE... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 25113615 |
ChEMBL | CHEMBL1198147 |