24U/PRD_000595

1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

24U/PRD_000595 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2ZI2.

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Chemical Component Summary
Name	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Identifiers	(2S)-1-butanoyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
Formula	C₁₇ H₂₄ N₄ O₂
Molecular Weight	316.398
Type	NON-POLYMER
Isomeric SMILES	[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N
InChI	InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1
InChIKey	RYAZZWWVNUWKNB-AWEZNQCLSA-N
Composition	Polymer Sequences: BUA-PRO-00S
BIRD class	THROMBIN INHIBITOR
Represented As	SINGLE MOLECULE
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB06929
Name	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Groups	experimental
Synonyms	1-butanoyl-N-(4-carbamimidoylbenzyl)-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