MCO

1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID

Created:	2001-08-28
Last modified:	2012-01-05

Find Related PDB Entry
9 entries where MCO is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	2
Bond Count	29
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
Formula	C₉ H₁₅ N O₃ S
Molecular Weight	217.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1N(C(=O)C(C)CS)CCC1
SMILES	CACTVS	3.385	C[CH](CS)C(=O)N1CCC[CH]1C(O)=O
SMILES	OpenEye OEToolkits	1.7.5	CC(CS)C(=O)N1CCCC1C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@H](CS)C(=O)N1CCC[C@@H]1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.5	C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O
InChI	InChI	1.03	InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m1/s1
InChIKey	InChI	1.03	FAKRSMQSSFJEIM-RNFRBKRXSA-N

Drug Info: DrugBank

DrugBank ID	DB02032
Name	Epicaptopril
Groups	experimental
Synonyms	(2S)-1-((2R)-2-Methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid 2-D-Methyl-3-mercaptopropanoyl-L-proline Epicaptopril
Categories	Agents that produce hypertension Amino Acids Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Antihypertensive Agents Cardiovascular Agents Enzyme Inhibitors Imino Acids Protease Inhibitors
CAS number	63250-36-2

Drug Targets

Name	Target Sequence	Pharmacological Action
Metallo-beta-lactamase L1	MRSTLLAFALAVALPAAHTSAAEVPLPQLRAYTVDASWLQPMAPLQIADH...	unknown
Beta-lactamase	MMKGWMKCGLAGAVVLMASFWGGSVRAAGMSLTQVSGPVYVVEDNYYVQE...	unknown
Organic hydroperoxide resistance protein, putative	MRNKNMSTIYQTSATASAGRNGVVSTEDKLLELNLSYPKEMGGSGTATNP...	unknown
Angiotensin-converting enzyme	MGAASGRRGPGLLLPLPLLLLLPPQPALALDPGLQPGNFSADEAGAQLFA...	unknown
FEZ-1 protein	MKKVLSLTALMMVLNHSSFAYPMPNPFPPFRIAGNLYYVGTDDLASYLIV...	unknown
Carbapenem-hydrolyzing beta-lactamase BlaB-1	MLKKIKISLILALGLTSLQAFGQENPDVKIEKLKDNLYVYTTYNTFNGTK...	unknown
View More

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