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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	CHEMBL287369
Molecular formula	C33H40Cl4N8O3
IUPAC name	3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-2-[3-(tetrazol-1-yl)propoxyimino]pentyl]-N-methylbenzamide
Molecular weight	738.536
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	6.4
Synonyms	3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(2-oxo-[1,4'']bipiperidinyl-1''-yl)-2-[(Z)-3-tetrazol-1-yl-propoxyimino]-pentyl}-N-methyl-benzamide BDBM50110662
Inchi Key	APJZDXPRSIKPNZ-KGHBKMJJSA-N
Inchi ID	InChI=1S/C33H40Cl4N8O3/c1-42(33(47)24-17-25(34)20-26(35)18-24)21-31(39-48-16-4-11-44-22-38-40-41-44)28(23-6-7-29(36)30(37)19-23)10-15-43-13-8-27(9-14-43)45-12-3-2-5-32(45)46/h6-7,17-20,22,27-28H,2-5,8-16,21H2,1H3/b39-31+
PubChem CID	44380290
ChEMBL	CHEMBL287369
IUPHAR	N/A
BindingDB	50110662
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	17.0 nM	PMID11859013	BindingDB,ChEMBL

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