CED

5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID

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is present as a standalone ligand in 4 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 4 entries

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Chemical Component Summary
Name	5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Synonyms	DEGRADED CEPHALORIDINE, open form
Identifiers	(2R)-5-methyl-2-[(1R)-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula	C₁₄ H₁₆ N₂ O₄ S₂
Molecular Weight	340.418
Type	NON-POLYMER
Isomeric SMILES	CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O
InChI	InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1
InChIKey	SFVACKBZMIZHCK-ZWNOBZJWSA-N

Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	5

Drug Info: DrugBank

DrugBank ID	DB04133
Name	Degraded Cephaloridine
Groups	experimental
Synonyms	Degraded Cephaloridine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Penicillin-binding protein 1A	MTERKREHKDRKQNKNSPKNQSKVTKFLKWFFIGILLLGITAVTVVGIYV...	unknown	inhibitor
Beta-lactamase	MKKLIFLIVIALVLSACNSNSSHAKELNDLEKKYNAHIGVYALDTKSGKE...	unknown
Solute carrier family 22 member 5	MRDYDEVTAFLGEWGPFQRLIFFLLSASIIPNGFTGLSSVFLIATPEHRC...	unknown
Solute carrier family 22 member 6	MAFNDLLQQVGGVGRFQQIQVTLVVLPLLLMASHNTLQNFTAAIPTHHCR...	unknown
Solute carrier family 22 member 8	MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCR...	unknown
Solute carrier family 22 member 11	MAFSKLLEQAGGVGLFQTLQVLTFILPCLMIPSQMLLENFSAAIPGHRCW...	unknown
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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