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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Rhodopsin
Species	Homo sapiens (Human)
Gene	RHO
Synonym	Opsin-2 Rhodopsin
Disease	N/A
Length	348
Amino acid sequence	MNGTEGPNFYVPFSNATGVVRSPFEYPQYYLAEPWQFSMLAAYMFLLIVLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVLGGFTSTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFTWVMALACAAPPLAGWSRYIPEGLQCSCGIDYYTLKPEVNNESFVIYMFVVHFTIPMIIIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWVPYASVAFYIFTHQGSNFGPIFMTIPAFFAKSAAIYNPVIYIMMNKQFRNCMLTTICCGKNPLGDDEASATVSKTETSQVAPA
UniProt	P08100
Protein Data Bank	N/A
GPCR-HGmod model	P08100
3D structure model	This predicted structure model is from GPCR-EXP P08100.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	N/A
DrugBank	BE0001200

Ligand

Name	85618-20-8
Molecular formula	C13H26O5S
IUPAC name	(2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular weight	294.406
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.6
Synonyms	AC1LCVPH DB04450 Heptyl thioglucoside N-HEPTYL-BETA-D-THIOGLUCOPYRANOSIDE beta-D-Glucopyranoside, heptyl 1-thio- Heptyl 1-thioglucoside Heptyl-beta-D-1-thioglucopyranoside solution SCHEMBL137948 (2S,4S,5S,3R,6R)-2-heptylthio-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-3,4 ,5-triol D0NW6E Heptyl b-D-thioglucopyranoside MFCD00043236 ZINC16052385 AKOS016846196 FT-0626930 Heptyl-1-thio-beta-D-glucopyranoside n-Heptyl-I(2)-D-thioglucopyranoside (2S,3R,4S,5S,6R)-2-(heptylthio)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol beta-D-Glucopyranoside,heptyl 1-thio- Heptyl 1-thiohexopyranoside HTG ST51037607 Heptyl beta-D-thioglucopyranoside n-Heptyl beta-D-thioglucopyranoside, >=99% (GC) AX8144445 GC8635 Heptyl-beta-D-1-thioglucopyranoside N-Heptylthioglucoside (2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol C13H26O5S Heptyl ?-D-thioglucopyranoside KB-295944 W0563 [ Show all ]
Inchi Key	HPEGNLMTTNTJSP-LBELIVKGSA-N
Inchi ID	InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
PubChem CID	656917
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB04450
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank

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