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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	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	CHEMBL439287
Molecular formula	C62H65N11O11
IUPAC name	(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]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-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	1140.27
Hydrogen bond acceptor	12
Hydrogen bond donor	14
XlogP	3.7
Synonyms	BDBM50407440
Inchi Key	IFEQRVFNHZESHM-IHDKKPDCSA-N
Inchi ID	InChI=1S/C62H65N11O11/c1-33(2)55(73-60(81)52(26-37-31-66-47-17-9-5-13-42(37)47)70-57(78)49(23-34-19-21-39(74)22-20-34)68-56(77)44(63)28-54(75)76)61(82)71-51(25-36-30-65-46-16-8-4-12-41(36)46)58(79)69-50(24-35-29-64-45-15-7-3-11-40(35)45)59(80)72-53(62(83)84)27-38-32-67-48-18-10-6-14-43(38)48/h3-22,29-33,44,49-53,55,64-67,74H,23-28,63H2,1-2H3,(H,68,77)(H,69,79)(H,70,78)(H,71,82)(H,72,80)(H,73,81)(H,75,76)(H,83,84)/t44-,49-,50+,51+,52+,53+,55-/m0/s1
PubChem CID	44324698
ChEMBL	CHEMBL439287
IUPHAR	N/A
BindingDB	50407440
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	1380.0 nM	PMID7629809	BindingDB
Kd	1380.38 nM	PMID7629809	ChEMBL

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