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GLASS

You can:

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	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	CHEMBL2115415
Molecular formula	C34H38Cl2N2O6S
IUPAC name	[(2R)-2-(3,4-dichlorophenyl)-2-[2-[(2S)-2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl]ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight	673.646
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.7
Synonyms	UNII-VGDEDKUKP2 BDBM50403793 CS-003 191672-52-3 VGDEDKUKP2 SB19659 [ Show all ]
Inchi Key	RWSBBXFLRGQFQP-RKCQUONGSA-N
Inchi ID	InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45-/m0/s1
PubChem CID	9831641
ChEMBL	CHEMBL2115415
IUPHAR	N/A
BindingDB	50403793
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.72 nM	PMID10937720	BindingDB
IC50	0.72 nM	PMID10937720	ChEMBL

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