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	Free fatty acid receptor 3
Species	Rattus norvegicus (Rat)
Gene	Ffar3
Synonym	FFA3 receptor FFA3R G protein-coupled receptor 41 G-protein coupled receptor 41 GPCR41 GPR41 LSSIG [ Show all ]
Disease	N/A for non-human GPCRs
Length	319
Amino acid sequence	MDTSFFPGNHWLFFSVDLLVFLVGLPLNVMALVVFVNKLRRRPVAVDLLLLNLTISDLLLLLFLPFRIVEAACGMKWILPFIFCPLSGFLFFTTIYLTSLFLMTVSIERFLSVAYPLWYKTRPRLAQAGLVSGICWFLASAHCSVIYVTEYWGNATYSQGTNGTCYLEFREDQLAILLPVRLEMAVVLFMVPLCITSYCYSRLVWILSQGASRRRRKRVMGLLVATLLIFFVCFGPYNMSHVVGYVRGESPTWRSYVLLLSTLNSCIDPLVFYFSSSKFQADFHQLLSRLIRACVPWTQEVSLELKVKNGEEPSKECPS
UniProt	B2GV46
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	CHEMBL3886125
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	ISOBUTYRIC ACID
Molecular formula	C4H8O2
IUPAC name	2-methylpropanoic acid
Molecular weight	88.106
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	0.8
Synonyms	Isobutyric acid, certified reference material, TraceCERT(R) 88696-EP2295411A1 KB-77935 a-Methylpropionic acid MCULE-7783770647 alpha-isobutyric acid NCGC00248957-01 BBL011415 11047-EP2272841A1 DSSTox_GSID_21636 11047-EP2308858A1 FT-0625068 11047-EP2316826A1 ISB 1iup 2-Methylpropionsaeure RP18490 Tenox IBP-2 Grain Pr. ZINC901420 Isobutyricacid 8LL210O1U0 KSC489M7N AC1Q5RPW methylpropionic acid alpha-Methylpropionate NSC-62780 C02632 .alpha.-Methylpropanoic acid D06ZVB 11047-EP2289510A1 EC 201-195-7 11047-EP2311817A1 i-butyrate 11047-EP2371803A1 iso-C3H7COOH 2-Methyl Propionic Acic, Natural Isobutyric acid [UN2529] [Flammable liquid] 4-02-00-00843 (Beilstein Handbook Reference) STL146521 UN 2529 88696-EP2287158A1 Isopropylformic acid a-Methylpropanoic acid LMFA01020071 AI3-24260 Nat.Isobutyric Acid AN-23989 Cenex RP b2 11047-EP2269610A2 Dimethylacetic acid 11047-EP2298772A1 F2191-0099 11047-EP2316458A1 I14-10607 11047-EP2377843A1 Isobuttersaeure 2-Methylpropanoic acid Isobutyric acid, >=99%, FCC, FG Propanoic acid,2-methyl- Tenox IBP-2 WLN: QVY1&1 Isobutyric acid, natural, >=99%, FCC, FG 88696-EP2298777A2 KQNPFQTWMSNSAP-UHFFFAOYSA-N AC1L1MVA methylpropanoic acid alpha-Methylpropanoate NCGC00258759-01 bmse000439 CHEMBL108778 11047-EP2275401A1 DSSTox_RID_76250 11047-EP2311453A1 GTPL1060 11047-EP2316827A1 iso-Butyrate 2,2-dimethylacetic acid Isobutyric acid (natural) 2-Propanecarboxylic acid RTR-032122 Tox21_201207 533-90-4 (calcium salt) isopropyl carboxylic acid 996-30-5 (hydrochloride salt) Kyselina isomaselna Acetic acid, dimethyl- MFCD00002658 alpha-Methylpropionic acid NSC62780 CAS-79-31-2 .alpha.-Methylpropionic acid DB02531 11047-EP2295055A2 EINECS 201-195-7 11047-EP2311822A1 i-Butyric acid 11047-EP2374538A1 Isobutanoate 2-methyl-propanoic acid Isobutyric acid, 99% Tenox EBP 2 UN2529 88696-EP2289876A1 K400 a-Methylpropionate LS-2857 AKOS000118733 NATURAL ISOBUTYRIC ACID ANW-37282 CHEBI:16135 11047-EP2270003A1 DSSTox_CID_1636 11047-EP2308839A1 FEMA No. 2222 11047-EP2316825A1 InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6 19455-20-0 (potassium salt) Isobutyrate 2-Methylpropionic acid Isobutyric acid, analytical standard Propionic acid, 2-methyl- Tenox IBP-2 Grain Pr Z955123672 Isobutyric acid, puriss. p.a., >=99.5% 88696-EP2305825A1 KS-00000X9W AC1Q1O87 Methylpropanoic acid, 2- alpha-Methylpropanoic acid NSC 62780 BRN 0635770 CTK3I9676 11047-EP2277848A1 DTXSID4021636 11047-EP2311816A1 HSDB 5228 11047-EP2316828A1 Iso-butyric acid 2-methyl propanoic acid Isobutyric acid [UN2529] [Flammable liquid] 22228-82-6 (ammonium salt) SC-23341 TR-032122 79-31-2 Isopropylformate a-Methylpropanoate Kyselina isomaselna [Czech] ACMC-209ph0 MolPort-001-783-185 ALQ Propanoic acid, 2-methyl- Caswell No. 503AA Dimethylacetate 11047-EP2298763A1 EPA Pesticide Chemical Code 101502 11047-EP2316457A1 I0103 11047-EP2374787A1 Isobutanoic acid 2-METHYL-PROPIONIC ACID Isobutyric acid, 99+% Tenox IBP 2 UNII-8LL210O1U0 [ Show all ]
Inchi Key	KQNPFQTWMSNSAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
PubChem CID	6590
ChEMBL	CHEMBL108778
IUPHAR	1060
BindingDB	N/A
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	30000.0 nM	None	ChEMBL

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