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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	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	CHEMBL427627
Molecular formula	C42H51N7O7S
IUPAC name	3-[(2S,5R,14S)-14-benzyl-11-methyl-2-(2-methylpropyl)-5-(2-methylsulfanylethyl)-11-naphthalen-1-yl-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazabicyclo[15.2.1]icos-18-en-8-yl]propanamide
Molecular weight	797.972
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	3.6
Synonyms	BDBM50406746
Inchi Key	GDQSRKJCPHKNRU-BZLSHULBSA-N
Inchi ID	InChI=1S/C42H51N7O7S/c1-25(2)23-34-39(54)45-31(20-22-57-4)36(51)44-30(17-18-35(43)50)38(53)48-42(3,29-16-10-14-27-13-8-9-15-28(27)29)41(56)47-33(24-26-11-6-5-7-12-26)37(52)46-32-19-21-49(34)40(32)55/h5-16,19,21,25,30-34H,17-18,20,22-24H2,1-4H3,(H2,43,50)(H,44,51)(H,45,54)(H,46,52)(H,47,56)(H,48,53)/t30?,31-,32?,33+,34+,42?/m1/s1
PubChem CID	44264517
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50406746
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	2511.89 nM	PMID7678430	BindingDB

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