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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3735210
Molecular formula	C41H57N7O11S
IUPAC name	(4S)-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-(3-carboxypropanoylamino)-5-oxopentanoic acid
Molecular weight	856.005
Hydrogen bond acceptor	12
Hydrogen bond donor	8
XlogP	1.5
Synonyms	N/A
Inchi Key	APDSVLDZPYXCHU-XDIGFQIYSA-N
Inchi ID	InChI=1S/C41H57N7O11S/c1-25(2)21-30(39(57)46-28(37(42)55)19-20-60-4)45-34(50)24-43-40(58)32(23-27-13-9-6-10-14-27)48(3)41(59)31(22-26-11-7-5-8-12-26)47-38(56)29(15-17-35(51)52)44-33(49)16-18-36(53)54/h5-14,25,28-32H,15-24H2,1-4H3,(H2,42,55)(H,43,58)(H,44,49)(H,45,50)(H,46,57)(H,47,56)(H,51,52)(H,53,54)/t28-,29-,30-,31-,32-/m0/s1
PubChem CID	102531125
ChEMBL	CHEMBL3735210
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.03 nM	MedChemComm, (2015) 6:3:469	ChEMBL
IC50	6.1 nM	MedChemComm, (2015) 6:3:469	ChEMBL
Ratio EC50	2.0 -	MedChemComm, (2015) 6:3:469	ChEMBL

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