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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	CHEMBL95076
Molecular formula	C42H48N4O7
IUPAC name	[1-[2-(furan-2-ylmethoxy)ethyl]benzimidazol-2-yl]-[1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]methanone
Molecular weight	720.867
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	5.6
Synonyms	BDBM50290732 SCHEMBL1387259 {3-[2-(4-{1-[2-(Furan-2-ylmethoxy)-ethyl]-1H-benzoimidazole-2-carbonyl}-piperidin-1-yl)-ethyl]-3-phenyl-pyrrolidin-1-yl}-(3,4,5-trimethoxy-phenyl)-methanone
Inchi Key	CGNVNXXLENQGRB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C42H48N4O7/c1-49-36-26-31(27-37(50-2)39(36)51-3)41(48)45-22-18-42(29-45,32-10-5-4-6-11-32)17-21-44-19-15-30(16-20-44)38(47)40-43-34-13-7-8-14-35(34)46(40)23-25-52-28-33-12-9-24-53-33/h4-14,24,26-27,30H,15-23,25,28-29H2,1-3H3
PubChem CID	15542869
ChEMBL	CHEMBL95076
IUPHAR	N/A
BindingDB	50290732
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	7.9 nM	N/A	BindingDB
IC50	7.93 nM	Bioorg. Med. Chem. Lett., (1997) 7:22:2825	ChEMBL

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