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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	Rattus norvegicus (Rat)
Gene	Tacr2
Synonym	TAC2R Substance K receptor SP-E receptor SKR NKNAR NK2 receptor NK-2R NK-2 receptor Neurokinin B receptor Neurokinin A receptor Tachykinin receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	390
Amino acid sequence	MGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProt	P16610
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	CHEMBL4554
IUPHAR	361
DrugBank	N/A

Ligand

Name	CHEMBL170102
Molecular formula	C26H31N5O4
IUPAC name	N-[(2S)-1-[[(2S)-1-[[(2R)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
Molecular weight	477.565
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	1.9
Synonyms	N/A
Inchi Key	HBVRVXXQGJFCIK-PNLZDCPESA-N
Inchi ID	InChI=1S/C26H31N5O4/c1-16(29-25(34)18-10-6-5-7-11-18)23(32)28-17(2)24(33)30-22(26(35)31(3)4)14-19-15-27-21-13-9-8-12-20(19)21/h5-13,15-17,22,27H,14H2,1-4H3,(H,28,32)(H,29,34)(H,30,33)/t16-,17-,22+/m0/s1
PubChem CID	44384181
ChEMBL	CHEMBL170102
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
pKB	6.45 -	Bioorg. Med. Chem. Lett., (1993) 3:5:931	ChEMBL

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