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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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GPCR

Name	Neuromedin-K receptor
Species	Rattus norvegicus (Rat)
Gene	Tacr3
Synonym	Tac3r SP-N receptor Nmkr NKR NK3 receptor NK-3R NK-3 receptor neuromedin K receptor neurokinin beta receptor Neurokinin B receptor Tachykinin receptor 3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	452
Amino acid sequence	MASVPRGENWTDGTVEVGTHTGNLSSALGVTEWLALQAGNFSSALGLPATTQAPSQVRANLTNQFVQPSWRIALWSLAYGLVVAVAVFGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASVAAFNTLINFIYGLHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGPKQHFTYHIIVIILVYCFPLLIMGVTYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVVTFAICWLPYHVYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIQVSSYDELELKTTRFHPTRQSSLYTVSRMESVTVLFDPNDGDPTKSSRKKRAVPRDPSANGCSHRGSKSASTTSSFISSPYTSVDEYS
UniProt	P16177
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3154
IUPHAR	362
DrugBank	N/A

Ligand

Name	CP-99994
Molecular formula	C19H24N2O
IUPAC name	(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
Molecular weight	296.414
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.9
Synonyms	(-)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2s,3s)-cis-3-(2-methoxybenzylamino)-2-phenylpiperidine AC1NSJX2 CP99994 ZINC22441784 (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine GTPL2102 (+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S,3S)-3-(2-methoxybenzyl)amino-2-phenylpiperdine CP 99994 Tritiated-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2-Methoxy-benzyl)-((1R,4S)-2-phenyl-piperidin-4-yl)-amine (2S,3S)-N-(2-methoxybenzyl)-2-phenylpiperidin-3-amine AKOS027453648 D05ETM (+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S, 3S)-3-(2-methoxybenzylamino)-2-phenylpiperidine 136982-36-0 CHEMBL441225 NCGC00370844-01 (-) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2s,3s)-3-(2-methoxybenzyl)amino-2-phenylpiperidine 5KM4QA7RZC UNII-5KM4QA7RZC (2-Methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine BDBM50000041 DTQNEFOKTXXQKV-HKUYNNGSSA-N (+)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S,3S)-3-(2-Methoxy-benzyloxy)-2-phenyl-piperidine Cis-3-(2-methoxybenzylamino)-2-phenylpiperidine SCHEMBL1282327 [ Show all ]
Inchi Key	DTQNEFOKTXXQKV-HKUYNNGSSA-N
Inchi ID	InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
PubChem CID	5311057
ChEMBL	CHEMBL441225
IUPHAR	2102
BindingDB	50000041
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	<100000.0 nM	Bioorg. Med. Chem. Lett., (1997) 7:2:203	ChEMBL

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