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	Hydroxycarboxylic acid receptor 1
Species	Homo sapiens (Human)
Gene	HCAR1
Synonym	lactate receptor 1 LACR1 HCA1 receptor Gpr81 G-protein coupled receptor 81 G-protein coupled receptor 104 G protein-coupled receptor 81 G protein-coupled receptor 104 FKSG80 T-cell activation G protein-coupled receptor [ Show all ]
Disease	N/A
Length	346
Amino acid sequence	MYNGSCCRIEGDTISQVMPPLLIVAFVLGALGNGVALCGFCFHMKTWKPSTVYLFNLAVADFLLMICLPFRTDYYLRRRHWAFGDIPCRVGLFTLAMNRAGSIVFLTVVAADRYFKVVHPHHAVNTISTRVAAGIVCTLWALVILGTVYLLLENHLCVQETAVSCESFIMESANGWHDIMFQLEFFMPLGIILFCSFKIVWSLRRRQQLARQARMKKATRFIMVVAIVFITCYLPSVSARLYFLWTVPSSACDPSVHGALHITLSFTYMNSMLDPLVYYFSSPSFPKFYNKLKICSLKPKQPGHSKTQRPEEMPISNLGRRSCISVANSFQSQSDGQWDPHIVEWH
UniProt	Q9BXC0
Protein Data Bank	N/A
GPCR-HGmod model	Q9BXC0
3D structure model	This predicted structure model is from GPCR-EXP Q9BXC0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075101
IUPHAR	311
DrugBank	N/A

Ligand

Name	3-hydroxy-5-(trifluoromethyl)benzoic Acid
Molecular formula	C8H5F3O3
IUPAC name	3-hydroxy-5-(trifluoromethyl)benzoic acid
Molecular weight	206.12
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.0
Synonyms	AC-26052 AN-44319 CHEMBL2146907 FT-0081492 S-5405 Z1741967079 328H698 ACT00885 BDBM50391821 CS-W015347 KS-00000NMX SCHEMBL477824 5-hydroxy-3-trifluoromethyl-benzoic acid AB0024236 AKOS005259697 BR-34710 FC1098 MolPort-001-778-490 TRA0022134 3-hydroxy-5-trifluoromethylbenzoicacid AC1MD3V5 ANW-72881 CL8089 FT-0651162 SBB093590 ZINC15442784 3-Carboxy-5-(trifluoromethyl)phenol 4CH-015587 AJ-67422 Benzoic acid, 3-hydroxy-5-(trifluoromethyl)- CTK3J6421 KSC496I2D ST2417733 3-Hydroxy-5-trifluoromethyl-benzoic acid AB32076 AM84002 FS-2057 RT-003006 W5461 328-69-8 ACMC-1CPRZ BBL101599 CM12815 KB-32175 SC-52492 3-Carboxy-5-hydroxybenzotrifluoride 5-hydroxy-3-(trifluoromethyl)benzoic acid AK-34710 BJUOAPFXYPEEMK-UHFFFAOYSA-N DTXSID00382459 MFCD07368783 STL555395 3-Hydroxy-5-trifluoromethylbenzoic acid A5872 [ Show all ]
Inchi Key	BJUOAPFXYPEEMK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H5F3O3/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3,12H,(H,13,14)
PubChem CID	2783146
ChEMBL	CHEMBL2146907
IUPHAR	N/A
BindingDB	50391821
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<1000000.0 nM	PMID24900524	BindingDB,ChEMBL

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