792

N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
Identifiers	(2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methyl-1H-indol-3-yl)propanoic acid
Formula	C₂₂ H₂₂ N₂ O₅ S
Molecular Weight	426.485
Type	NON-POLYMER
Isomeric SMILES	CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O
InChI	InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1
InChIKey	SFVPXERGVLDWIS-OAQYLSRUSA-N

Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	16

Drug Info: DrugBank

DrugBank ID	DB07233
Name	N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
Groups	experimental
Synonyms	N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Disintegrin and metalloproteinase domain-containing protein 17	MRQSLLFLTSVVPFVLAPRPPDDPGFGPHQRLEKLDSLLSDYDILSLSNI...	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