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GLASS

You can:

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	CHEMBL313546
Molecular formula	C34H38Cl2FN3O5
IUPAC name	1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-(4-fluorophenyl)piperidine-4-carboxamide
Molecular weight	658.592
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.8
Synonyms	BDBM50290310 SCHEMBL8351265 1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-(4-fluoro-phenyl)-piperidine-4-carboxylic acid amide
Inchi Key	SKQQTPWQQAVLTC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H38Cl2FN3O5/c1-43-28-18-22(19-29(44-2)30(28)45-3)31(41)40-17-11-33(21-40,24-6-9-26(35)27(36)20-24)10-14-39-15-12-34(13-16-39,32(38)42)23-4-7-25(37)8-5-23/h4-9,18-20H,10-17,21H2,1-3H3,(H2,38,42)
PubChem CID	44319222
ChEMBL	CHEMBL313546
IUPHAR	N/A
BindingDB	50290310
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	13.5 nM	Bioorg. Med. Chem. Lett., (1997) 7:19:2531	ChEMBL
IC50	14.0 nM	N/A	BindingDB

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