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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	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	CHEMBL412189
Molecular formula	C60H64N10O11
IUPAC name	(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]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	1101.23
Hydrogen bond acceptor	12
Hydrogen bond donor	13
XlogP	3.5
Synonyms	BDBM50407412
Inchi Key	DNUSSGXYBREKAM-RANNHXKVSA-N
Inchi ID	InChI=1S/C60H64N10O11/c1-33(2)53(70-58(78)50(28-38-32-64-46-19-11-8-16-42(38)46)67-55(75)47(24-35-20-22-39(71)23-21-35)65-54(74)43(61)29-52(72)73)59(79)68-49(27-37-31-63-45-18-10-7-15-41(37)45)56(76)66-48(26-36-30-62-44-17-9-6-14-40(36)44)57(77)69-51(60(80)81)25-34-12-4-3-5-13-34/h3-23,30-33,43,47-51,53,62-64,71H,24-29,61H2,1-2H3,(H,65,74)(H,66,76)(H,67,75)(H,68,79)(H,69,77)(H,70,78)(H,72,73)(H,80,81)/t43-,47-,48+,49+,50+,51-,53-/m0/s1
PubChem CID	44324711
ChEMBL	CHEMBL412189
IUPHAR	N/A
BindingDB	50407412
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	288.4 nM	PMID7629809	BindingDB,ChEMBL

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