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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	20695-94-7 DTXSID80658144 BDBM50284761 ZINC19861699 AKOS027295163 L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-tryptophyl- CHEMBL295022 [(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester CTK0J0150 BDBM50283777 N-[(Benzyloxy)carbonyl]-L-tryptophyl-L-phenylalaninamide [1-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
210344	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
210345	Neuromedin-K receptor	P30098	TACR3	Cavia porcellus (Guinea pig)	440
210346	Substance-K receptor	P51144	TACR2	Mesocricetus auratus (Golden hamster)	384
210343	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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