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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.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Neuromedin-K receptor
Species	Homo sapiens (Human)
Gene	TACR3
Synonym	SP-N receptor Tac3r Nmkr NKR NK3 receptor NK-3R NK-3 receptor neuromedin K receptor neurokinin beta receptor Neurokinin B receptor Tachykinin receptor 3 [ Show all ]
Disease	Schizophrenia Schizophrenia; Schizoaffective disorders Psychotic disorders Psychiatric disorder Irritable bowel syndrome Depression Central nervous system disease Asthma [ Show all ]
Length	465
Amino acid sequence	MATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS
UniProt	P29371
Protein Data Bank	N/A
GPCR-HGmod model	P29371
3D structure model	This predicted structure model is from GPCR-EXP P29371.
BioLiP	N/A
Therapeutic Target Database	T29683
ChEMBL	CHEMBL4429
IUPHAR	362
DrugBank	BE0002371

Ligand

Name	CHEMBL75478
Molecular formula	C38H44Cl4N6O5
IUPAC name	3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2-methoxyiminopentyl]-N-ethylbenzamide
Molecular weight	806.607
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	7.1
Synonyms	BDBM50116743 N-(2-Methoxyethyl)-2-oxo-3-[1-[(3R)-3-(3,4-dichlorophenyl)-4-(methoxyimino)-5-[ethyl(3,5-dichlorobenzoyl)amino]pentyl]piperidine-4-yl]-2,3-dihydro-1H-benzimidazole-1-acetamide 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{3-[(2-methoxy-ethylcarbamoyl)-methyl]-2-oxo-2,3-dihydro-benzoimidazol-1-yl}-piperidin-1-yl)-2-[(Z)-methoxyimino]-pentyl}-N-ethyl-benzamide
Inchi Key	AXBSORLKLUGMEI-OUADDPIDSA-N
Inchi ID	InChI=1S/C38H44Cl4N6O5/c1-4-46(37(50)26-19-27(39)22-28(40)20-26)23-33(44-53-3)30(25-9-10-31(41)32(42)21-25)13-17-45-15-11-29(12-16-45)48-35-8-6-5-7-34(35)47(38(48)51)24-36(49)43-14-18-52-2/h5-10,19-22,29-30H,4,11-18,23-24H2,1-3H3,(H,43,49)/b44-33+/t30-/m1/s1
PubChem CID	44315589
ChEMBL	CHEMBL75478
IUPHAR	N/A
BindingDB	50116743
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	945.0 nM	PMID12161132	BindingDB
Ki	945.0 nM	PMID12161132	ChEMBL

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