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GLASS

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

Name	Trace amine-associated receptor 1
Species	Homo sapiens (Human)
Gene	TAAR1
Synonym	trace amine receptor 1 TAR1 TaR-1 TA1 receptor TRAR1
Disease	N/A
Length	339
Amino acid sequence	MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS
UniProt	Q96RJ0
Protein Data Bank	N/A
GPCR-HGmod model	Q96RJ0
3D structure model	This predicted structure model is from GPCR-EXP Q96RJ0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5857
IUPHAR	364
DrugBank	BE0001044

Ligand

Name	4-Fluorophenethylamine
Molecular formula	C8H10FN
IUPAC name	2-(4-fluorophenyl)ethanamine
Molecular weight	139.173
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.3
Synonyms	1583-88-6 4-fluoro-beta-phenylethylamine AB0062681 AKOS000120310 Benzeneethanamine, 4-fluoro- DTXSID70166400 I01-9053 M-3331 RP20547 TR-032955 W-107996 2-(4-fluorophenyl)-ethylamine AC1Q4NRV ANW-21757 CHEMBL217315 F2190-0530 KS-00000WG1 MolPort-001-771-763 SC-23207 2-(4-Fluorophenyl)ethanamine # 4-Fluorophenylethylamine ACT00991 BBL013000 CTK3J2560 HMS1728I10 LABOTEST-BB LTBB005272 PHARMABRIDGE P-3144 ST51038216 (p-fluorophenyl)ethylamine 2-(4-fluoro-phenyl) ethyl amine 4-fluoro-phenethylamine AB03730 AM20050132 BR-46694 EINECS 216-435-6 Jsp003138 MCULE-8758190976 RTR-032955 TRA0100378 ZINC389721 2-(4-fluorophenyl)ethan-1-amine 4-Fluorophenethylamine, 99% AC1Q54AV AS00493 CKLFJWXRWIQYOC-UHFFFAOYSA-N FT-0645865 KSC492K6B OTAVA-BB 1038624 SCHEMBL5414 1-Amino-2-(4-fluorophenyl)ethane 2-(4-fluorophenyl)ethylamine AJ-20922 BDBM50241087 DB-064219 I01-2042 LABOTEST-BB LTBB005322 RARECHEM AL BW 0215 STL163864 2-(4-fluoro-phenyl)-ethylamine 4-fluorophenethyl amine AC1L1ING AN-49495 F0829 KB-38867 MFCD00134208 SBB058811 TS-01809 2-(4-Fluorophenyl)ethanamine 4-fluorophenylethyl amine ACMC-209dhr AURORA KA-7015 CS-W018312 GEO-01418 LABOTEST-BB LT03332221 P-fluorophenethylamine ST2411435 [ Show all ]
Inchi Key	CKLFJWXRWIQYOC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
PubChem CID	4653
ChEMBL	CHEMBL217315
IUPHAR	N/A
BindingDB	50241087
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	740.0 nM	PMID18602830	BindingDB,ChEMBL
Emax	81.0 %	PMID18602830	ChEMBL

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