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GLASS

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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	Skf-81297
Molecular formula	C16H16ClNO2
IUPAC name	9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Molecular weight	289.759
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.7
Synonyms	6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CCG-205236 GHWJEDJMOVUXEC-UHFFFAOYSA-N NCGC00163159-01 SKF 81297 6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol AC1Q3LHK CHEMBL353335 Lopac0_001162 PDSP2_001510 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-phenyl- 71636-61-8 C16H16ClNO2 D02DHU NCGC00015910-04 SK&F 81297 6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol CHEBI:91517 GTPL938 NSC_1218 SKF 81297 hydrochloride 6-chloro-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine BDBM86282 cid_11957706 LS-176906 R(+)SKF81297 SKF81297 1H-3-Benzazepine-7,8-diol,6-chloro-2,3,4,5-tetrahydro-1-phenyl- CAS_1218 DTXSID3043815 NCGC00025166-02 SK&F-81297 6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide AC1L1AZH L000565 PDSP1_001526 SKF-81,297 6-Chloro-PB hydrobromide BRD-A09828896-004-04-5 CTK5D4764 NCGC00015910-03 SCHEMBL398776 [ Show all ]
Inchi Key	GHWJEDJMOVUXEC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
PubChem CID	1218
ChEMBL	CHEMBL353335
IUPHAR	938
BindingDB	86282
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	6535.0 nM	N/A	BindingDB
IC50	<29913.0 nM	N/A	BindingDB

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