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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-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	CHEMBL26790
Molecular formula	C33H36Cl2N4O2
IUPAC name	3-[1-[3-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight	591.577
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BDBM50070353 SCHEMBL7842031 1-(1-{3-[1-Benzyl-3-(3,4-dichloro-phenyl)-6-oxo-piperidin-3-yl]-propyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
Inchi Key	ADXFJIYJEFFOSY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H36Cl2N4O2/c34-27-12-11-25(21-28(27)35)33(17-13-31(40)38(23-33)22-24-7-2-1-3-8-24)16-6-18-37-19-14-26(15-20-37)39-30-10-5-4-9-29(30)36-32(39)41/h1-5,7-12,21,26H,6,13-20,22-23H2,(H,36,41)
PubChem CID	23294208
ChEMBL	CHEMBL26790
IUPHAR	N/A
BindingDB	50070353
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	6.4 nM	PMID9871763	BindingDB,ChEMBL

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