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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL410808
Molecular formula	C69H102N18O13S
IUPAC name	(2S)-2-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(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-3,3-diphenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Molecular weight	1423.75
Hydrogen bond acceptor	17
Hydrogen bond donor	15
XlogP	-0.9
Synonyms	Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Gly-Leu-Met BDBM50030160
Inchi Key	CKLGDGIPAWRWBO-QUFQHBKWSA-N
Inchi ID	InChI=1S/C69H102N18O13S/c1-41(2)38-50(62(94)80-46(59(74)91)32-37-101-3)79-56(90)40-78-66(98)58(57(43-20-9-5-10-21-43)44-22-11-6-12-23-44)85-63(95)51(39-42-18-7-4-8-19-42)84-61(93)47(28-30-54(72)88)81-60(92)48(29-31-55(73)89)82-64(96)53-27-17-36-87(53)68(100)49(25-13-14-33-70)83-65(97)52-26-16-35-86(52)67(99)45(71)24-15-34-77-69(75)76/h4-12,18-23,41,45-53,57-58H,13-17,24-40,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,98)(H,79,90)(H,80,94)(H,81,92)(H,82,96)(H,83,97)(H,84,93)(H,85,95)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1
PubChem CID	44288068
ChEMBL	CHEMBL410808
IUPHAR	N/A
BindingDB	50030160
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
IC50	670.0 nM	PMID7515443	BindingDB,ChEMBL

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