TP3

4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE
Synonyms	SP-722
Identifiers	(2S)-2-[[4-[(1S,2R)-2-carboxypyrrolidin-1-yl]sulfonylphenyl]carbonylamino]pentanedioic acid
Formula	C₁₇ H₂₀ N₂ O₉ S
Molecular Weight	428.414
Type	NON-POLYMER
Isomeric SMILES	c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O
InChI	InChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1
InChIKey	NDDOUBGQRWFVQM-QWHCGFSZSA-N

Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	2
Bond Count	50
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB04503
Name	Sp-722
Groups	experimental
Synonyms	Sp-722

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thymidylate synthase	MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC...	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