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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Substance-P receptor
Species	Cavia porcellus (Guinea pig)
Gene	TACR1
Synonym	NK-1 receptor NK-1R SPR Tachykinin receptor 1
Disease	N/A for non-human GPCRs
Length	407
Amino acid sequence	MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
UniProt	P30547
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	CHEMBL3942
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CP-99994
Molecular formula	C19H24N2O
IUPAC name	(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
Molecular weight	296.414
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.9
Synonyms	(2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine GTPL2102 (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine CP 99994 Tritiated-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S,3S)-3-(2-methoxybenzyl)amino-2-phenylpiperdine (2S,3S)-N-(2-methoxybenzyl)-2-phenylpiperidin-3-amine AKOS027453648 D05ETM (2-Methoxy-benzyl)-((1R,4S)-2-phenyl-piperidin-4-yl)-amine 136982-36-0 CHEMBL441225 NCGC00370844-01 (+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S, 3S)-3-(2-methoxybenzylamino)-2-phenylpiperidine 5KM4QA7RZC UNII-5KM4QA7RZC (-) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2s,3s)-3-(2-methoxybenzyl)amino-2-phenylpiperidine (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine BDBM50000041 DTQNEFOKTXXQKV-HKUYNNGSSA-N (2-Methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine Cis-3-(2-methoxybenzylamino)-2-phenylpiperidine SCHEMBL1282327 (+)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S,3S)-3-(2-Methoxy-benzyloxy)-2-phenyl-piperidine (2s,3s)-cis-3-(2-methoxybenzylamino)-2-phenylpiperidine AC1NSJX2 CP99994 ZINC22441784 (-)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine [ Show all ]
Inchi Key	DTQNEFOKTXXQKV-HKUYNNGSSA-N
Inchi ID	InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
PubChem CID	5311057
ChEMBL	CHEMBL441225
IUPHAR	2102
BindingDB	50000041
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	2.9 nM	PMID11266174	BindingDB,ChEMBL
Kd	0.32 nM	PMID7693945	BindingDB
Ki	0.17 nM	PMID7693945	ChEMBL
Ki	0.27 nM	PMID7693945	ChEMBL
Ki	0.27 nM	PMID7693945	BindingDB

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