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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	CHEMBL2370585
Molecular formula	C66H83N13O17
IUPAC name	(3S)-3-[[(2S)-2-amino-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]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	1330.46
Hydrogen bond acceptor	19
Hydrogen bond donor	19
XlogP	-1.8
Synonyms	N/A
Inchi Key	ASAODNKCBDEUDD-KVVIGZHKSA-N
Inchi ID	InChI=1S/C66H83N13O17/c1-33(2)54(65(94)78-49(25-36-29-71-44-15-7-4-12-40(36)44)62(91)76-48(24-35-28-70-43-14-6-3-11-39(35)43)61(90)73-46(58(69)87)17-9-10-22-67)79-64(93)50(26-37-30-72-45-16-8-5-13-41(37)45)77-60(89)47(23-34-18-20-38(81)21-19-34)75-63(92)51(27-53(82)83)74-59(88)42(68)32-95-66-57(86)56(85)55(84)52(31-80)96-66/h3-8,11-16,18-21,28-30,33,42,46-52,54-57,66,70-72,80-81,84-86H,9-10,17,22-27,31-32,67-68H2,1-2H3,(H2,69,87)(H,73,90)(H,74,88)(H,75,92)(H,76,91)(H,77,89)(H,78,94)(H,79,93)(H,82,83)/t42-,46-,47-,48+,49-,50-,51-,52+,54-,55+,56-,57+,66+/m0/s1
PubChem CID	73354577
ChEMBL	CHEMBL2370585
IUPHAR	N/A
BindingDB	N/A
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
pKB	>5.0 -	Bioorg. Med. Chem. Lett., (1996) 6:4:367	ChEMBL

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