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GLASS

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

Name	Gamma-aminobutyric acid type B receptor subunit 1
Species	Rattus norvegicus (Rat)
Gene	Gabbr1
Synonym	Gb1 gamma-aminobutyric acid (GABA) B receptor 1 gamma-aminobutyric acid (GABA) B receptor GABABR1 GABAB1 GABA-BR1 GABA-B-R1 GABA-B receptor 1 GPRC3A [ Show all ]
Disease	N/A for non-human GPCRs
Length	991
Amino acid sequence	MLLLLLVPLFLRPLGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVEFRCDPDFHLVGSSRSVCSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKTYDPSINCTVEEMTEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALALNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRSQFPFVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGMDVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSKKMNTWLGELWSFAVSSDVQRRATVGGDSPICVWPAPESIFYGYKGLLLLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYITLVVLFVPKMRRLITRGEWQSETQDTMKTGSSTNNNEEEKSRLLEKENRELEKIIAEKEERVSELRHQLQSRQQLRSRRHPPTPPDPSGGLPRGPSEPPDRLSCDGSRVHLLYK
UniProt	Q9Z0U4
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2753
IUPHAR	240
DrugBank	N/A

Ligand

Name	Triton X-100
Molecular formula	C16H26O2
IUPAC name	2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Molecular weight	250.382
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.6
Synonyms	4-iso-Octylphenol-mono-ethoxylate NSC-406472 480KVF3EBY Octoxynol 8419DEW37J Octoxynol-3 AC1Q56RS Octylphenoxypolyethoxyethanols AN-19486 Peg (P-(1,1,3,3-tetramethylbutyl)phenyl) ether CAS-9002-93-1 D05229 172826-82-3 Ethanol, 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]- 2-[p-(1,1,3,3-Tetramethylbutyl)phenoxy]ethanol GW0EMR6SXY 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(octylphenoxy)- Marlophen 820 Polyoxyethylene (40) octyl phenyl ether QH2U227LZY Triton X Triton X 45 TRITON(R) X-100 UNII-20CAX7IO75 PEG-40 Octyl phenyl ether UNII-KI56N6W95G Poly(oxyethylene)-p-tert-octylphenyl ether Polyethylene glycol mono(p-(1,1,3,3-tetramethylbutyl)phenyl) ether Polyethylene glycol p-octylphenyl ether (VAN) NCGC00260093-01 4-tert-Octylphenol monoethoxylate solution NSC_5590 66057-69-0 Octoxynol 9 [USAN:NF] 9010-43-9 Octoxynol-9 Alfenol 9 Ortho-gynol BDBM81480 Peg P-tert-octylphenyl ether CCRIS 985 DSSTox_RID_79110 2-(p-(1,1,3,3-Tetramethylbutyl)phenoxy)ethanol Ethoxylated p-tert-octylphenol 2091235-81-1 Igepal CA-630 32-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18,21,24,27,- 30-decaoxadotriacontan-1-ol Polyoxyethylene 4-(1,1,3,3-tetramethylbutyl)phenyl ether ST50406992 Triton X 102 Triton X-100 (TN) Triton(R) X-405, 70% solution in water UNII-48RF3T316O Phenol,1,3,3-tetramethylbutyl)-, monoether with polyethylene glycol UNII-SQL994V0M6 Polyethylene glycol (33) octyl phenyl ether Polyethylene glycol mono[p-(1,3,3-tetramethylbutyl)phenyl] ether Polyoxyethylene (11) octyl phenyl ether NSC 406472 4-tert-Octylphenyl (2-Hydroxyethyl)ether Octoxinolum 81398-86-9 Octoxynol-12 9T1C662FKS Octylphenol Ethoxylate alpha-(P-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) PDSP1_001087 Bio1_001452 PEG-25 Octyl phenyl ether Conco nix-100 125692-92-4 Ethanol, 2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)- 2-[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]ethanol Glycols, mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether 26-(4-Octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol KI56N6W95G 4-(1,1,3,3-Tetramethylbutyl)phenol, ethoxylated Polyoxyethylene (25) octyl phenyl ether Polyoxyethylene octyl phenyl ether Tox21_111055 Triton X 35 Triton X-405 TX 100 UNII-9T1C662FKS Poly(oxy-1,2-ethanediyl), alpha-(4-(1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy- ZINC1532311 Polyethylene glycol 600 octyl phenyl ether Polyethylene glycol p-1,1,3,3-tetramethylbutylphenyl ether 4-iso-Octylphenol-mono-ethoxylate 10 microg/mL in Acetone NSC-5259 48RF3T316O Octoxynol 1 9002-93-1 Octoxynol-33 AKOS009460920 OP1EO AN-19902 Peg 4-isooctylphenyl ether CAS_118-96-7 DSSTox_CID_14085 2-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)ethanol Ethanol, octylphenoxy- 2003274-72-2 Hydrol SW 3,9,12,15,18,21,24,27,30-Decaoxatriacontan-1-ol, 30-[p-(1,1,3,3-tetramethylbutyl)phenyl]- MCULE-7119685362 Polyoxyethylene (9) octyl phenyl ether SCHEMBL33822 Triton X 100 Triton X 705 Triton(R) X-100, 98%, for molecular biology, DNAse, RNAse and Protease free UNII-3E2NC94VPF PEG-9 Octyl phenyl ether UNII-NR7ZWN391G Polyethylene glycol (11) octyl phenyl ether Polyethylene glycol mono(p-tert-octylphenyl) ether Polyethylene glycol p-tert-octylphenyl ether Neutronyx 605 4-tert-Octylphenol monoethoxylate solution, 1 mug/mL in acetone, analytical standard Octoxinol (INN) 66057-82-7 Octoxynol 9 [USAN] 9077-65-0 Octoxynols alpha-(4-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl) p-(1,1,3,3-Tetramethylbutyl)phenol ethoxylate Bio1_000474 PEG-11 Octyl phenyl ether CHEBI:9750 1017686-87-1 DTXSID1058680 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethan-1-ol FT-0673247 20CAX7IO75 J-015013 39409-11-5 Polyoxyethylene mono(octylphenyl) ether STL451484 Triton X 165 Triton X-102 Triton,(+) UNII-7JPC6Y25QS Poletoxol UNII-X7V411JQHV Polyethylene glycol 2000 octyl phenyl ether Polyethylene glycol octylphenol ether Polyoxyethylene (12) octyl phenyl ether 4-(1,1,3,3-Tetramethylbutyl)phenyl hydroxypoly(oxyethylene) NSC 5259 4-tert-Octylphenyl peg ether Octoxinolum [INN-Latin] Octoxynol-25 AC1L1KOQ octylphenoxy polyethoxy ethanol alpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) produced by the condensation of 1 mole of p-(1,1,3,3-tetramethylbutyl)phenol with a range of 30-70 moles of ethylene oxide PDSP2_001071 C11623 CTK5G8407 13463-07-5 ETHANOL, 2-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)- 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol Glycols, polyethylene, mono(p-(1,1,3,3-tetramethylbutyl)phenyl) ether 26-(Octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol LS-72946 Polyoxyethylene (33) octyl phenyl ether Preceptin Tox21_202544 Triton X 405 Triton x-45 TX-017094 PEG-33 Octyl phenyl ether UNII-GW0EMR6SXY Poly(oxy-1,2-ethanediyl), alpha-(octylphenyl)-omega-hydroxy- Polyethylene glycol mono(4-octylphenyl) ether Polyethylene glycol p-octylphenyl ether 4-tert-Octylphenol Monoethoxylate NSC5259 66057-68-9 Octoxynol 9 (NF) 9010-42-8 Octoxynol-40 Alfenol 3 OPE 30 Antarox A-200 Peg 4-tert-octylphenyl ether CAS_5590 DSSTox_GSID_34085 2-(4-tert-Octylphenoxy)ethanol Ethanol,1,3,3-tetramethylbutyl)phenoxy]- 2055492-07-2 Hyonic pe-250 308104-64-5 NCGC00091012-01 Polyoxyethylene (9) octylphenyl ether SQL994V0M6 Triton X 101 Triton(R) X-114 UNII-480KVF3EBY Phenol, P-(1,1,3,3-tetramethylbutyl)-, monoether with polyethylene glycol UNII-QH2U227LZY Polyethylene glycol (25) octyl phenyl ether Polyethylene glycol monoether with p-tert-octylphenyl Polyethyleneglycol 4-(tert-octyl)phenyl ether NR7ZWN391G 4-tert-Octylphenol monoethoxylate solution, 10 mug/mL in acetone, analytical standard Octoxinols 7JPC6Y25QS Octoxynol-11 935753-04-1 Octyl phenol condensed with l2-l3 moles ethylene oxide alpha-(P-(1,1,3,3-Tetramethylbutyl)phenoxy)ethanol p-tert-(Octylphenoxypolyethoxy)ethanol Bio1_000963 PEG-12 Octyl phenyl ether CHEMBL39763 111287-03-7 EINECS 264-520-1 2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethanol FT-0689215 2315-67-5 JYCQQPHGFMYQCF-UHFFFAOYSA-N 3E2NC94VPF Polyoxyethylene mono(octylphenyl) ether (VAN) Texofor FP 300 Triton X 305 Triton X-305 Triton,(-) UNII-8419DEW37J Poly(oxy-1, .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy- X7V411JQHV Polyethylene glycol 450 octyl phenyl ether Polyethylene glycol p-(1,3,3-tetramethylbutyl)phenyl ether Polyoxyethylene (13) octylphenyl ether [ Show all ]
Inchi Key	JYCQQPHGFMYQCF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
PubChem CID	5590
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81480
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4.5 nM	PMID459687	BindingDB
Ki	9.5 nM	PMID459687	BindingDB
Ki	15.5 nM	PMID459687	BindingDB
Ki	23.5 nM	PMID459687	BindingDB
Ki	48.0 nM	PMID459687	BindingDB
Ki	52.5 nM	PMID459687	BindingDB
Ki	104.0 nM	PMID459687	BindingDB

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