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GLASS

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

Name	Substance-P receptor
Species	Rattus norvegicus (Rat)
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	MDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
UniProt	P14600
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	CHEMBL4027
IUPHAR	360
DrugBank	N/A

Ligand

Name	CHEMBL346154
Molecular formula	C28H32N2O
IUPAC name	(2R,3R)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight	412.577
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.4
Synonyms	PDSP1_000655 ((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine BDBM50280461 (2R,3R)-cis-2-(Diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine CP-96,344 AC1LAKZR SCHEMBL5378537 (2R,3R)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine 135095-42-0 CP-96344 B7213 ZINC36324026 (2R,3R)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]quinuclidin-3-amine [ Show all ]
Inchi Key	FLNYLINBEZROPL-VSGBNLITSA-N
Inchi ID	InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m1/s1
PubChem CID	490428
ChEMBL	CHEMBL346154
IUPHAR	N/A
BindingDB	50280461
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
IC50	120.0 nM	, Bioorg. Med. Chem. Lett., (1992) 2:6:559	BindingDB,ChEMBL
Ratio	100.0 -	Bioorg. Med. Chem. Lett., (1992) 2:6:559	ChEMBL

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