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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Substance-P receptor
Species	Homo sapiens (Human)
Gene	TACR1
Synonym	NK-1 receptor Tachykinin receptor 1 TAC1R SPR Substance P receptor neurokinin receptor 1 NK1R NK-1R NK1 receptor [ Show all ]
Disease	Cough Depression Depression; Anxiety Diabetes Eczema Nausea; Vomiting Emesis; Irritable bowel syndrome Incontinence; Anxiety disorder; Chemotherapyinduced emesis; Major depressive disorder Influenza virus Irritable bowel syndrome; Chemo therapy induced emesis; Gastric motility disorder Major depressive disorder Migraine Urinary incontinence Chemotherapy-induced nausea Cancer pain Alcohol use disorders Asthma Emesis Overactive bladder disorder Pain Respiratory tract inflammation Schizophrenia Severe mood disorders; Depression Unspecified Brain injury Mood disorder [ Show all ]
Length	407
Amino acid sequence	MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
UniProt	P25103
Protein Data Bank	2ksa, 6e59, 6hlo, 2ks9, 6hlp, 6hll, 2ksb
GPCR-HGmod model	P25103
3D structure model	This structure is from PDB ID 2ksa.
BioLiP	BL0101802, BL0437915, BL0437914, BL0437913, BL0434896, BL0101803, BL0101801
Therapeutic Target Database	T47094
ChEMBL	CHEMBL249
IUPHAR	360
DrugBank	BE0000384

Ligand

Name	Cgp-36742
Molecular formula	C7H18NO2P
IUPAC name	3-aminopropyl(butyl)phosphinic acid
Molecular weight	179.2
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-2.7
Synonyms	ONNMDRQRSGKZCN-UHFFFAOYSA-N SGS-742 (3-Amino-propyl)-butyl-phosphinic acid 3-aminopropyl(n-butyl)-phosphinic acid CGP36742 DTXSID10154063 Phosphinic acid, (3-aminopropyl)butyl- ZINC26982268 123690-78-8 CHEMBL112797 GTPL1085 SCHEMBL195133 3-aminopropyl(butyl)phosphinic acid Cgp 36742 LS-183981 PDSP1_001479 SGS742 (3-Aminopropyl)(n-butyl)phosphinic acid 3-aminopropyl(n-butyl)phosphinic acid CGP36742, >=97% (NMR) DVD-742 Phosphinic acid,(3-aminopropyl)butyl- 145537-81-1 AC1L2WMW CTK8G9848 L000169 SGS 742 3-aminopropyl(n-butyl) phosphinic acid DB05010 Lu-AE-58479 PDSP2_001463 UNII-GBZ5UC0RME (3-Aminopropyl)butylphosphinic acid 3-aminopropyl-butylphosphinic acid GBZ5UC0RME SC-51053 3-aminopropyl(butyl)-phosphinic acid BDBM50032982 D0D6FQ LS-173250 [ Show all ]
Inchi Key	ONNMDRQRSGKZCN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
PubChem CID	130021
ChEMBL	CHEMBL112797
IUPHAR	N/A
BindingDB	50032982
DrugBank	DB05010
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	0.0 %	PMID7650685	ChEMBL

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