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GLASS

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GPCR

Name	Free fatty acid receptor 1
Species	Homo sapiens (Human)
Gene	FFAR1
Synonym	FFA1R G protein-coupled receptor 40 G-protein coupled receptor 40 GPR40 FFA1 receptor
Disease	Type 2 diabetes Non-insulin dependent diabetes Diabetes
Length	300
Amino acid sequence	MDLPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGCSDLLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAALSAGRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGGWLDHSNTSLGINTPVNGSPVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYVGCLRALARSGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNLGGSWRKLGLITGAWSVVLNPLVTGYLGRGPGLKTVCAARTQGGKSQK
UniProt	O14842
Protein Data Bank	5tzy, 5tzr
GPCR-HGmod model	O14842
3D structure model	This structure is from PDB ID 5tzy.
BioLiP	BL0380462, BL0380463, BL0380464
Therapeutic Target Database	T25608
ChEMBL	CHEMBL4422
IUPHAR	225
DrugBank	BE0000688

Ligand

Name	linolenic acid
Molecular formula	C18H30O2
IUPAC name	(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
Molecular weight	278.436
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.9
Synonyms	FA005 .alpha.-Linolenic acid IDI1_033846 68424-45-3 Linolenic acid (8CI) 9,15-Octadecatrienoic acid, (Z,Z,Z)- LMFA01030152 AC1NQXSA NCGC00091058-01 alpha-LA NCGC00091058-10 BML3-B05 SC-65260 CCRIS 656 Tox21_201727 cis-9, cis-12, cis-15-octadecatrienoic acid UNII-HBA528N3PW component DTOSIQBPPRVQHS-PDBXOOCHSA-N D0Z0FZ (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid (9Z,12Z,15Z)octadeca-9,12,15-trienoic acid HMS1791E18 22333-90-0 (calcium salt) L000707 9,12,15-Octadecatrienoate Linolenic acid, >=99% 94138-91-7 (lithium salt) MFCD00065720 AK106170 NCGC00091058-05 alpha-Linolenic acid, 1.0 mg/mL in ethanol, certified reference material NSC 2042 C06427 SR-01000838327 CHEMBL8739 UNII-0RBV727H71 cis-9,cis-12,cis-15-Octadecatrienoic acid DSSTox_GSID_25506 DTXSID7025506 (Z,Z,Z)-9,12,15-Octadecatrienoic acid HMS3402E18 463-40-1 9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)- (9CI) Linolenic acid, Vetec(TM) reagent grade, 98% a-Linolenate MLS002454413 all-cis-9,12,15-Octadecatrienoic acid NCGC00091058-08 AX8136381 Octadecatrienoic acid, 9,12,15-(Z,Z,Z)- CAS-463-40-1 ST24034988 cis,cis,cis-9,12,15-Octadecatrienoic acid UNII-96GS7P39SN component DTOSIQBPPRVQHS-PDBXOOCHSA-N CMC_7371 (9,12,15)-linolenic acid GTPL1049 0RBV727H71 Industrene 120 85392-75-2 (tin(2+) salt) Linolenic acid 10 microg/mL in Methanol 9-cis,12-cis,15-cis-octadecatrienoate LNL AI3-23986 NCGC00091058-02 alpha-Linolenate NCGC00257192-01 BRD-K33396764-001-02-0 SCHEMBL15282 CHEBI:27432 Tox21_303322 cis-9,12,15-octadecatrienoate DB00132 (9Z,12Z,15Z)-Octadecatrienoate (all-Z)-9,12,15-Octadecatrienoic acid HMS1989E18 2DCD0473-E5CC-47BB-A0A4-95899AFF6C4B L0050 9,12,15-Octadecatrienoic acid Linolenic acid, analytical standard 9Z,12Z,15Z-Octadecatrienoic acid MLS001336029 AKOS016008598 NCGC00091058-06 alpha-Lnn NSC-2042 C18:3 SR-01000838327-2 cid_5280934 UNII-5U9XZ261ER component DTOSIQBPPRVQHS-PDBXOOCHSA-N cis-Delta(9,12,15)-octadecatrienoic acid DSSTox_RID_77815 EINECS 207-334-8 (Z,Z,Z)-Octadeca-9,12,15-trienoic acid HMS3649H05 LINOLENIC ACID (18:3 n-3) 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- Linolenic acid, ~70% (GC) a-Linolenic acid MolPort-003-937-817 all-cis-9,15-Octadecatrienoic acid NCGC00091058-09 BDBM50240347 SBB069548 CC-29967 Tox21_111071 cis,cis-9,12,15-Octadecatrienoic acid UNII-F85N2YHE4E component DTOSIQBPPRVQHS-PDBXOOCHSA-N D0C5SV (9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid HMS1361E18 KB-209139 9,12,15-all-cis-Octadecatrienoic acid Linolenic acid, 99% 9-cis,12-cis,15-cis-Octadecatrienoic acid M621 AJ-45651 NCGC00091058-04 alpha-Linolenic acid NCGC00259276-01 BSPBio_001376 SMR000857336 UNII-0JXR8F0V1Q component DTOSIQBPPRVQHS-PDBXOOCHSA-N cis-9,12,15-octadecatrienoic acid DSSTox_CID_5506 (9Z,12Z,15Z)-Octadecatrienoic acid ZINC3802189 (Z,Z,Z)-9,12,15-Octadecatrienoate HMS2233C13 38660-45-6 (potassium salt) linolenate 9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)- Linolenic acid, crude A-8311 MLS001336030 all-cis-9,12,15-Octadecatrienoate NCGC00091058-07 AN-45099 NSC2042 C18:3n-3,6,9 ST072192 cis,cis,cis-9,12,15-octadecatrienoate UNII-71M78END5S component DTOSIQBPPRVQHS-PDBXOOCHSA-N cis-delta9,12,15-Octadecatrienoic acid DTOSIQBPPRVQHS-PDBXOOCHSA-N [ Show all ]
Inchi Key	DTOSIQBPPRVQHS-PDBXOOCHSA-N
Inchi ID	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
PubChem CID	5280934
ChEMBL	CHEMBL8739
IUPHAR	1049
BindingDB	50240347
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	100.0 %	PMID19007110	ChEMBL
EC50	1995.26 - 25118.9 nM	PMID12496284, PMID12565875, PMID12629551	IUPHAR
EC50	2884.03 nM	PMID22519963	BindingDB,ChEMBL
EC50	3000.0 nM	PMID26928019	BindingDB,ChEMBL
EC50	3162.0 nM	PMID26928019	BindingDB
EC50	3162.28 nM	PMID26928019	ChEMBL
EC50	5200.0 nM	PMID19007110	BindingDB,ChEMBL
Efficacy	88.0 %	PMID22519963	ChEMBL

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