MCI

(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID
Synonyms	MERCAPTOCARBOXYLATE INHIBITOR
Identifiers	2-[(2S)-4-phenyl-2-(sulfanylmethyl)butanoyl]imino-2-[5-(1,2,3,4-tetrazol-1-ylmethyl)thiophen-2-yl]ethanoic acid
Formula	C₁₉ H₁₉ N₅ O₃ S₂
Molecular Weight	429.516
Type	NON-POLYMER
Isomeric SMILES	c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O
InChI	InChI=1S/C19H19N5O3S2/c25-18(14(11-28)7-6-13-4-2-1-3-5-13)21-17(19(26)27)16-9-8-15(29-16)10-24-12-20-22-23-24/h1-5,8-9,12,14,28H,6-7,10-11H2,(H,26,27)/t14-/m1/s1
InChIKey	DUKDFMPUZRDWLT-CQSZACIVSA-N

Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	1
Bond Count	50
Aromatic Bond Count	16

Drug Info: DrugBank

DrugBank ID	DB02706 ?
Name	Mercaptocarboxylate Inhibitor
Groups	experimental
Synonyms	Mercaptocarboxylate Inhibitor

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase IMP-1	MSKLSVFFIFLFCSIATAAESLPDLKIEKLDEGVYVHTSFEEVNGWGVVP...	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