19U/PRD_000591

1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide

19U/PRD_000591 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2ZFP.

Find entries where PRD_000591 is present

Find related ligands:

Similar Ligands (Stereospecific)

Similar Ligands (Quick Screen)

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide
Identifiers	(2S)-1-[(2R)-2-azanylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
Formula	C₁₆ H₂₂ Cl N₃ O₂
Molecular Weight	323.818
Type	PEPTIDE-LIKE
Isomeric SMILES	CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N
InChI	InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14+/m1/s1
InChIKey	OTYYXGRJXJFTCD-KGLIPLIRSA-N
Composition	Polymer Sequences: DBB-PRO-C2A
BIRD class	THROMBIN INHIBITOR
Represented As	SINGLE MOLECULE
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	2
Bond Count	45
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB06878
Name	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide
Groups	experimental
Synonyms	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-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