LK1

N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID

Created:	2007-02-01
Last modified:	2011-06-04

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1 entries where LK1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	11

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Chemical Component Summary
Name	N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-[(6-butoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid
Formula	C₁₉ H₂₃ N O₇ S
Molecular Weight	409.453
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NS(=O)(=O)c1ccc2c(c1)ccc(OCCCC)c2)CCC(=O)O
SMILES	CACTVS	3.341	CCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NC(CCC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	CCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[C@@H](CCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m0/s1
InChIKey	InChI	1.03	UAGYXJBYAFGRFR-KRWDZBQOSA-N

Drug Info: DrugBank

DrugBank ID	DB08105
Name	N-[(6-butoxynaphthalen-2-yl)sulfonyl]-L-glutamic acid
Groups	experimental
Synonyms	N-[(6-butoxynaphthalen-2-yl)sulfonyl]-L-glutamic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
UDP-N-acetylmuramoylalanine--D-glutamate ligase	MADYQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEA...	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