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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	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	Saredutant
Molecular formula	C31H35Cl2N3O2
IUPAC name	N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Molecular weight	552.54
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.9
Synonyms	AC1L2XTE D05WJQ N-((S)-beta-(2-(4-Acetamido-4-phenylpiperidino)ethyl)-3,4-dichlorophenethyl)-N-methylbenzamide Saredutant [INN] SR-48965 [3H]-SR49868 142001-63-6 Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl- DTXSID00161923 N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide SR 48,968 SR-48968C [3H]SR48968 CHEMBL308148 HY-106910 PDSP2_000650 SR 48968C UNII-720U2QK8I5 (S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide AN-5342 D0B9KT N-[(2S)-4-(4-acetamido-4-phenyl-1-piperidyl)-2-(3,4-dichlorophenyl)butyl]-N-methyl-benzamide SB19660 SR-48968 [3H]saredutant Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-, (S)- GTPL2111 N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide SR 48965 SR48968 720U2QK8I5 CS-0026895 LS-25204 SR-48,968 ZINC3927605 125S414 BDBM50071484 N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide SCHEMBL185911 SR-489686 [3H]SR48,968 GTPL3481 PDSP1_000659 SR 48968 SR48968C [ Show all ]
Inchi Key	PGKXDIMONUAMFR-AREMUKBSSA-N
Inchi ID	InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
PubChem CID	104974
ChEMBL	CHEMBL308148
IUPHAR	2111, 3481
BindingDB	50071484
DrugBank	DB06660
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
Ki	0.51 nM	Bioorg. Med. Chem. Lett., (1993) 3:2:319	ChEMBL
Ki	0.51 nM	N/A	BindingDB

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