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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	Oryctolagus cuniculus (Rabbit)
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	MGACDIVTEANISSDIDSNATGVTAFSMPGWQLALWATAYLALVLVAVVGNATVIWIILAHRRMRTVTNYFIVNLALADLCMATFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSGPGTKAVIAGIWLVALALAFPQCFYSTITMDQGATKCVVAWPEDSGGKMLLLYHLTVIALIYFLPLVVMFVAYSVIGFKLWRRTVPGHQTHGANLRHLRAKKKFVKTMVLVVVTFAVCWLPYHLYFLLGHFQDDIYCRKFIQQVYLVLFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSLSVRVNRCHTKETLFLVGDVAPSEAANGQAGGPQDGGAYDF
UniProt	P79218
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	CHEMBL3433
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL329888
Molecular formula	C46H58N8O11S
IUPAC name	(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	931.075
Hydrogen bond acceptor	13
Hydrogen bond donor	11
XlogP	0.6
Synonyms	BDBM50407436
Inchi Key	BCSKTPXLEUWETE-PNIVNVQDSA-N
Inchi ID	InChI=1S/C46H58N8O11S/c1-26(2)19-35(43(61)51-34(46(64)65)17-18-66-3)50-39(56)25-49-42(60)38(22-29-24-48-33-12-8-7-11-31(29)33)54-45(63)37(20-27-9-5-4-6-10-27)53-44(62)36(21-28-13-15-30(55)16-14-28)52-41(59)32(47)23-40(57)58/h4-16,24,26,32,34-38,48,55H,17-23,25,47H2,1-3H3,(H,49,60)(H,50,56)(H,51,61)(H,52,59)(H,53,62)(H,54,63)(H,57,58)(H,64,65)/t32-,34-,35-,36-,37-,38+/m0/s1
PubChem CID	10486004
ChEMBL	CHEMBL329888
IUPHAR	N/A
BindingDB	50407436
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	100000.0 nM	PMID7629809	BindingDB,ChEMBL

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