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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	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	CHEMBL32248
Molecular formula	C28H28N4O4
IUPAC name	benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight	484.556
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	3.5
Synonyms	[1-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester DTXSID80658144 20695-94-7 ZINC19861699 BDBM50284761 L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-tryptophyl- AKOS027295163 [(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester CHEMBL295022 CTK0J0150 N-[(Benzyloxy)carbonyl]-L-tryptophyl-L-phenylalaninamide BDBM50283777 [ Show all ]
Inchi Key	MOFIHHRIGQKWJP-DQEYMECFSA-N
Inchi ID	InChI=1S/C28H28N4O4/c29-26(33)24(15-19-9-3-1-4-10-19)31-27(34)25(16-21-17-30-23-14-8-7-13-22(21)23)32-28(35)36-18-20-11-5-2-6-12-20/h1-14,17,24-25,30H,15-16,18H2,(H2,29,33)(H,31,34)(H,32,35)/t24-,25-/m0/s1
PubChem CID	44281769
ChEMBL	CHEMBL32248
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>10.0 %	Bioorg. Med. Chem. Lett., (1996) 6:2:165	ChEMBL

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