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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.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Substance-K receptor
Species	Mesocricetus auratus (Golden hamster)
Gene	TACR2
Synonym	Neurokinin A receptor NK-2 receptor NK-2R SKR Tachykinin receptor 2
Disease	N/A for non-human GPCRs
Length	384
Amino acid sequence	MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP
UniProt	P51144
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	CHEMBL2304405
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL441181
Molecular formula	C50H60N10O11S
IUPAC name	(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	1009.15
Hydrogen bond acceptor	13
Hydrogen bond donor	13
XlogP	0.3
Synonyms	BDBM50407415
Inchi Key	FAIJOLLBIRKGMK-YNYTUOIJSA-N
Inchi ID	InChI=1S/C50H60N10O11S/c1-26(2)43(60-47(67)40(20-29-24-54-36-15-9-6-12-32(29)36)57-48(68)41(25-61)59-44(64)33(51)21-42(62)63)49(69)58-39(19-28-23-53-35-14-8-5-11-31(28)35)46(66)56-38(45(65)55-37(50(70)71)16-17-72-3)18-27-22-52-34-13-7-4-10-30(27)34/h4-15,22-24,26,33,37-41,43,52-54,61H,16-21,25,51H2,1-3H3,(H,55,65)(H,56,66)(H,57,68)(H,58,69)(H,59,64)(H,60,67)(H,62,63)(H,70,71)/t33-,37-,38+,39+,40+,41-,43-/m0/s1
PubChem CID	44324533
ChEMBL	CHEMBL441181
IUPHAR	N/A
BindingDB	50407415
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
Kd	6456.54 nM	PMID7629809	ChEMBL
Kd	6457.0 nM	PMID7629809	BindingDB

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