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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-K receptor
Species	Homo sapiens (Human)
Gene	TACR2
Synonym	NK2 receptor Neurokinin A receptor Tachykinin receptor 2 TAC2R Substance K receptor SP-E receptor SKR Neurokinin B receptor NK-2 receptor NKNAR NK-2R [ Show all ]
Disease	Urinary incontinence Pain Unspecified Irritable bowel syndrome with diarrhoea Irritable bowel syndrome Infantile colics; Postoperative ileus Depression; Anxiety Depression; Acute or chronic pain; Anxiety disorders; Urinary incontinence Chronic obstructive pulmonary disease Asthma Anxiety disorder [ Show all ]
Length	398
Amino acid sequence	MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
UniProt	P21452
Protein Data Bank	N/A
GPCR-HGmod model	P21452
3D structure model	This predicted structure model is from GPCR-EXP P21452.
BioLiP	N/A
Therapeutic Target Database	T52790
ChEMBL	CHEMBL2327
IUPHAR	361
DrugBank	BE0002222

Ligand

Name	suloctidil
Molecular formula	C20H35NOS
IUPAC name	(1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
Molecular weight	337.566
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.8
Synonyms	CS-4883 MLS001148124 SCHEMBL13613541 UNII-XV1N1XY17K component BFCDFTHTSVTWOG-YLJYHZDGSA-N (alphaS)-alpha-[(R)-1-(Octylamino)ethyl]-4-[(1-methylethyl)thio]benzenemethanol BRD-K42635745-001-02-4 HMS2096E04 NCGC00022213-03 SR-01000000281-3 (1S,2R)-1-(4-(isopropylthio)phenyl)-2-(octylamino)propan-1-ol AB00383060 CCG-220421 CHEMBL588119 HY-B1237 REGID_for_CID_657255 Suloctidil (USAN/INN) (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol BDBM67714 D05967 MLS002222281 SMR000058933 ZINC2561289 (R,S)-4-((1-Methylethyl)thio)-alpha-(1-(octylamino)ethyl)benzenemethanol BRD-K42635745-001-22-2 CHEBI:92751 HMS2230I12 Opera_ID_1631 ST51015124 (1S,2R)-1-[4-(isopropylthio)phenyl]-2-(octylamino)propan-1-ol AC1LCW9C cid_657255 MLS000028666 SBB058183 Suloctidil, analytical standard, for drug analysis (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol BPBio1_000444 GNF-Pf-1859 MLS002695978 SR-01000000281 54767-75-8 BSPBio_000402 HMS3713E04 Prestwick3_000421 (1S,2R)-1-[4-(methylethylthio)phenyl]-2-(octylamino)propan-1-ol AKOS024374991 [ Show all ]
Inchi Key	BFCDFTHTSVTWOG-YLJYHZDGSA-N
Inchi ID	InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
PubChem CID	657255
ChEMBL	CHEMBL588119
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6792.9 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	2264.3 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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