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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.
Go to the GPCR page and check other ligands which interact with it.
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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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