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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	CHEMBL301437
Molecular formula	C26H34Cl2N2O2
IUPAC name	N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]butyl]-N-methylbenzamide
Molecular weight	477.47
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.5
Synonyms	BDBM50071121 N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-1-methyl-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
Inchi Key	DAJSDTWHSJMFGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H34Cl2N2O2/c1-26(2,32)22-12-15-30(16-13-22)14-11-21(20-9-10-23(27)24(28)17-20)18-29(3)25(31)19-7-5-4-6-8-19/h4-10,17,21-22,32H,11-16,18H2,1-3H3
PubChem CID	44300632
ChEMBL	CHEMBL301437
IUPHAR	N/A
BindingDB	50071121
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
Ki	7.7 nM	PMID9873462	BindingDB,ChEMBL

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