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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.
Go to the GPCR page and check other ligands which interact with it.
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	CHEMBL170936
Molecular formula	C35H41Cl2N3O6
IUPAC name	1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-N,N-dimethyl-4-phenylpiperidine-4-carboxamide
Molecular weight	670.628
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.5
Synonyms	BDBM50217506 N,N-Dimethyl-1-[2-[(5R)-3-(3,4,5-trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-phenylpiperidine-4-carboxamide
Inchi Key	FLHRZBMZKXELEJ-DHUJRADRSA-N
Inchi ID	InChI=1S/C35H41Cl2N3O6/c1-38(2)33(42)34(25-9-7-6-8-10-25)13-16-39(17-14-34)18-15-35(26-11-12-27(36)28(37)21-26)22-40(23-46-35)32(41)24-19-29(43-3)31(45-5)30(20-24)44-4/h6-12,19-21H,13-18,22-23H2,1-5H3/t35-/m0/s1
PubChem CID	44382011
ChEMBL	CHEMBL170936
IUPHAR	N/A
BindingDB	50217506
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.017 ug.mL-1	PMID10206553	ChEMBL
IC50	17.0 nM	PMID10206553	BindingDB

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