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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	CHEMBL333027
Molecular formula	C48H63N9O8
IUPAC name	benzyl N-[4-[(2R,5S,8R,11S,14R)-8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]butyl]carbamate
Molecular weight	894.087
Hydrogen bond acceptor	9
Hydrogen bond donor	9
XlogP	3.6
Synonyms	BDBM50407249
Inchi Key	MKJJVMPEBJTMJI-VYGDIUANSA-N
Inchi ID	InChI=1S/C48H63N9O8/c1-31(2)25-35-29-53-38(19-11-12-23-51-48(64)65-30-33-15-7-4-8-16-33)45(61)55-39(20-21-42(49)58)46(62)57-41(27-34-28-52-37-18-10-9-17-36(34)37)47(63)56-40(26-32-13-5-3-6-14-32)44(60)50-24-22-43(59)54-35/h3-10,13-18,28,31,35,38-41,52-53H,11-12,19-27,29-30H2,1-2H3,(H2,49,58)(H,50,60)(H,51,64)(H,54,59)(H,55,61)(H,56,63)(H,57,62)/t35-,38+,39-,40-,41+/m1/s1
PubChem CID	44347084
ChEMBL	CHEMBL333027
IUPHAR	N/A
BindingDB	50407249
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	6.761 nM	PMID7932590	ChEMBL
Kd	6.8 nM	PMID7932590	BindingDB

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