NHE

2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID

Created:	2001-04-24
Last modified:	2020-06-05

Find Related PDB Entry
277 entries where NHE is found as a standalone ligand6 entries where NHE is covalently linked to polymer or other heterogen groups

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
Synonyms	N-CYCLOHEXYLTAURINE; CHES
Systematic Name (OpenEye OEToolkits)	2-(cyclohexylamino)ethanesulfonic acid
Formula	C₈ H₁₇ N O₃ S
Molecular Weight	207.29
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CCNC1CCCCC1
SMILES	CACTVS	3.341	O[S](=O)(=O)CCNC1CCCCC1
SMILES	OpenEye OEToolkits	1.5.0	C1CCC(CC1)NCCS(=O)(=O)O
Canonical SMILES	CACTVS	3.341	O[S](=O)(=O)CCNC1CCCCC1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CCC(CC1)NCCS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
InChIKey	InChI	1.03	MKWKNSIESPFAQN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03309
Name	N-cyclohexyltaurine
Groups	experimental
Synonyms	2-(cyclohexylamino)ethanesulfonic acid CHES N-cyclohexyltaurine
Categories	Alkanes Alkanesulfonic Acids Buffers Hydrocarbons, Acyclic Sulfonic Acids Sulfur Acids Sulfur Compounds
CAS number	103-47-9

Drug Targets

Name	Target Sequence	Pharmacological Action
Sulfotransferase family cytosolic 2B member 1	MDGPAEPQIPGLWDTYEDDISEISQKLPGEYFRYKGVPFPVGLYSLESIS...	unknown
Nitrite reductase	MRQRTPFARPGLLASAALALVLGPLAASAQEQVAPPKDPAAALEDHKTRT...	unknown
Homeobox protein engrailed-2	MEENDPKPGEAAAAVEGQRQPESSPGGGSGGGGGSSPGEADTGRRRALML...	unknown
Ribonuclease PH	MNRPSGRAADQLRPIRITRHYTKHAEGSVLVEFGDTKVICTVSAESGVPR...	unknown
Cyanovirin-N	LGKFSQTCYNSAIQGSVLTSTCERTNGGYNTSSIDLNSVIENVDGSLKWQ...	unknown
Phosphoprotein	MAEEQARHVKNGLECIRALKAEPIGSLAIEEAMAAWSEISDNPGQERATC...	unknown
View More

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