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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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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Neuromedin-K receptor
Species	Cavia porcellus (Guinea pig)
Gene	TACR3
Synonym	Neurokinin B receptor NK-3 receptor NK-3R NKR Tachykinin receptor 3
Disease	N/A for non-human GPCRs
Length	440
Amino acid sequence	MASPAGNLSAWPGWGWPPPAALRNLTSSPAPTASPSPAPSWTPSPRPGPAHPFLQPPWAVALWSLAYGAVVAVAVLGNLVVIWIVLAHKRMRTVTNSFLVNLAFADAAMAALNALVNFIYALHGEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATRIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGSRQHFTYHMIVIVLVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYQEQLKAKRKVVKMMIIVVVTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIHVSSYDELELKATRLHPMRQSSLYTVTRMESMSVVFDSNDGDSARSSHQKRGTTRDVGSNVCSRRNSKSTSTTASFVSSSHMSVEEGS
UniProt	P30098
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	CHEMBL3799
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL311917
Molecular formula	C36H50N6O7S
IUPAC name	(2S)-N-[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight	710.891
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	2.6
Synonyms	BDBM50007972 pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met-NH2
Inchi Key	WLGDNOCWZZOAOT-IIZANFQQSA-N
Inchi ID	InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1
PubChem CID	14860666
ChEMBL	CHEMBL311917
IUPHAR	N/A
BindingDB	50007972
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
EC50	12.5 nM	PMID1714957	ChEMBL
EC50	13.0 nM	PMID1714957	BindingDB
Relative potency	40.0 %	PMID1714957	ChEMBL

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