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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	CHEMBL307733
Molecular formula	C34H39Cl4N5O4
IUPAC name	3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-5-[4-[3-(furan-3-ylmethyl)-2-oxo-1,3-diazinan-1-yl]piperidin-1-yl]-2-methoxyiminopentyl]-N-methylbenzamide
Molecular weight	723.517
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	7.0
Synonyms	N-[(3R)-2-(Methoxyimino)-3-(3,4-dichlorophenyl)-5-[4-[2-oxo-3-(3-furanylmethyl)hexahydropyrimidine-1-yl]piperidino]pentyl]-N-methyl-3,5-dichlorobenzamide 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(3-furan-3-ylmethyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide BDBM50116744
Inchi Key	BEMWOCKAHZVMIH-YCTXJJCUSA-N
Inchi ID	InChI=1S/C34H39Cl4N5O4/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1
PubChem CID	44315298
ChEMBL	CHEMBL307733
IUPHAR	N/A
BindingDB	50116744
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
Ki	1.1 nM	PMID12161132	BindingDB,ChEMBL

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