Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Galanin receptor type 3
Species	Homo sapiens (Human)
Gene	GALR3
Synonym	GAL3-R Galnr3 GALR-3 GALR3 GAL3 receptor
Disease	Cognitive disorders
Length	368
Amino acid sequence	MADAQNISLDSPGSVGAVAVPVVFALIFLLGTVGNGLVLAVLLQPGPSAWQEPGSTTDLFILNLAVADLCFILCCVPFQATIYTLDAWLFGALVCKAVHLLIYLTMYASSFTLAAVSVDRYLAVRHPLRSRALRTPRNARAAVGLVWLLAALFSAPYLSYYGTVRYGALELCVPAWEDARRRALDVATFAAGYLLPVAVVSLAYGRTLRFLWAAVGPAGAAAAEARRRATGRAGRAMLAVAALYALCWGPHHALILCFWYGRFAFSPATYACRLASHCLAYANSCLNPLVYALASRHFRARFRRLWPCGRRRRHRARRALRRVRPASSGPPGCPGDARPSGRLLAGGGQGPEPREGPVHGGEAARGPE
UniProt	O60755
Protein Data Bank	N/A
GPCR-HGmod model	O60755
3D structure model	This predicted structure model is from GPCR-EXP O60755.
BioLiP	N/A
Therapeutic Target Database	T98494
ChEMBL	CHEMBL2731
IUPHAR	245
DrugBank	N/A

Ligand

Name	2,6-Di-tert-butyl-4-nitrophenol
Molecular formula	C14H21NO3
IUPAC name	2,6-ditert-butyl-4-nitrophenol
Molecular weight	251.326
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	728-40-5 AK175953 BDBM95401 DSSTox_CID_1559 HMS2620M07 NCGC00255264-01 Phenol, 2,6-di-t-butyl-4-nitro- SMR000337938 2,6-di(tert-butyl)-4-Nitrobenzenol, AldrichCPR 2,6-ditert-butyl-4-nitro-phenol AC1L2CM2 BAY 28589 DTXSID4021559 LS-104326 NSC-81682 Phenol,6-bis(1,1-dimethylethyl)-4-nitro- Tox21_301750 1,3-DITERT.BUTYL,2-HYDROXY,5-NITRO-BENZENE 3,5-ditert-butyl-N-hydroxy-4-oxocyclohexa-2,5-dien-1-imine oxide AG-205/01424014 Bayer 4889 CTK5D6928 FCGKUUOTWLWJHE-UHFFFAOYSA-N MolPort-002-877-474 Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- SCHEMBL17411458 2,6-bis(tert-butyl)-4-nitrophenol 7L-850 AKOS005100920 BRN 2056124 DSSTox_GSID_21559 InChI=1/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H NCIOpen2_004262 Phenol, 2,6-di-tert-butyl-4-nitro- STK331796 2,6-di-t-butyl-4-nitrophenol 2,6-ditert-butyl-4-nitrophenol AC1O3Z57 Bayer 28,589 CHEMBL224869 EBD2321976 MCULE-3794159716 NSC81682 Phenol,6-di-tert-butyl-4-nitro- WLN: 1X1&1&R BQ ENW CX1&1&1 10452-78-5 4-nitro-2,6-bis-(1,1-dimethylethyl)-phenol AI3-25569 BBL001771 DA-41549 FT-0714407 NCGC00246556-01 Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- (9CI) SCHEMBL3236587 2,6-di(tert-butyl)-4-nitrobenzenol B-28589 CAS-728-40-5 DSSTox_RID_76210 KS-000000VG NSC 81682 Phenol,2,6-bis(1,1-dimethylethyl)-4-nitro- T8809 3,5-Di-t-butyl-4-hydroxy-nitrobenzene AC1Q1YM0 Bayer 28589 cid_69765 ENT 25,569 MLS000755910 Oprea1_462619 SBB100978 ZINC2513362 2,6-Bis(1,1-dimethylethyl)-4-nitrophenol [ Show all ]
Inchi Key	FCGKUUOTWLWJHE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
PubChem CID	69765
ChEMBL	CHEMBL224869
IUPHAR	N/A
BindingDB	95401
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2002.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417