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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	3-(3-phenylpyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Molecular formula	C22H27NO4
IUPAC name	3-(3-phenylpyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Molecular weight	369.461
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	cid_2894350 3-(3-phenyl-1-pyrrolidinyl)-1-(3,4,5-trimethoxyphenyl)-1-propanone;hydrochloride AKOS021996225 Oprea1_611843 3-(3-phenylpyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride CCG-18975 AC1MFH4K MolPort-002-934-527 3-(3-Phenyl-pyrrolidin-1-yl)-1-(3,4,5-trimethoxy-phenyl)-propan-1-one BBL001030 STK038087 3-(3-phenylpyrrolidino)-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride CHEMBL1616211 3-(3-phenyl-1-pyrrolidinyl)-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride AKOS001658175 Oprea1_464392 BDBM96657 T9399 [ Show all ]
Inchi Key	CBHGHNQKXANTGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27NO4/c1-25-20-13-18(14-21(26-2)22(20)27-3)19(24)10-12-23-11-9-17(15-23)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12,15H2,1-3H3
PubChem CID	2894351
ChEMBL	N/A
IUPHAR	N/A
BindingDB	96657
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	241.71 nM	N/A	BindingDB
IC50	2351.0 nM	N/A	BindingDB

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