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GPCR

Name	Substance-P receptor
Species	Mus musculus (Mouse)
Gene	Tacr1
Synonym	TAC1R Substance P receptor SPR NK1R NK1 receptor NK-1R NK-1 receptor neurokinin receptor 1 Tachykinin receptor 1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	407
Amino acid sequence	MDNVLPVDSDLFPNTSTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEDEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
UniProt	P30548
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	CHEMBL2668
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	RP 67580
Molecular formula	C29H30N2O2
IUPAC name	(3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
Molecular weight	438.571
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	VWBOQFANCXZMAU-LOSJGSFVSA-N (3ar,7ar)-7,7-diphenyl-2-[1-imino-2-(2-methoxyphenyl)-ethyl] perhydroisoindol-4-one CC-00529 LS-84754 RP-67580 (3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7,7-diphenyl-octahydro-isoindol-4-one 2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7,7-diphenyl-octahydro-isoindol-4-one AJ-45635 CTK8E8994 PDSP1_000658 SCHEMBL4349316 Tocris-1635 (3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-di(phenyl)-1,3,3a,5,6,7a-hexahydroisoindol-4-one 4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aR,7aR)- BDBM50029885 GTPL3522 ZINC3795331 (3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE 7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one MolPort-003-983-675 RP67580 SR-01000597596 (3aR,7aR)-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-4-perhydroisoindolone AKOS022181016 D08KXE PDSP2_000649 UNII-49U9M41BGY (3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one 4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aR-cis)- C-35556 J-006783 RP 68651 (3aR,7aR)-2-(1-Imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenylhexahydro-1H-isoindol-4(2H)-one 135911-02-3 AC1L32K1 CHEMBL131171 NCGC00025240-01 RT-015449 SR-01000597596-1 (3aR,7aR)-2-[1-Imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenylperhydro-4-isoindolone 49U9M41BGY B6810 FT-0643247 RP 67,580 [ Show all ]
Inchi Key	VWBOQFANCXZMAU-LOSJGSFVSA-N
Inchi ID	InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1
PubChem CID	107686
ChEMBL	CHEMBL131171
IUPHAR	3522
BindingDB	50029885
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	8.7 nM	PMID8576917	BindingDB,ChEMBL

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