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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	CHEMBL331303
Molecular formula	C36H47FN4O4
IUPAC name	(E)-5-amino-N-[(2R)-1-[[(2R)-3-(4-fluorophenyl)-1-[[(2R)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxo-3-(4-phenylcyclohexa-1,5-dien-1-yl)propan-2-yl]-N,5-dimethylhex-2-enamide
Molecular weight	618.794
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.1
Synonyms	BDBM50066814 (E)-5-Amino-5-methyl-hex-2-enoic acid [(R)-1-{[(R)-2-(4-fluoro-phenyl)-1-((R)-2-hydroxy-propylcarbamoyl)-ethyl]-methyl-carbamoyl}-2-(4-phenyl-cyclohexa-1,5-dienyl)-ethyl]-methyl-amide
Inchi Key	ORUIITFKECREJK-YBTUSNJDSA-N
Inchi ID	InChI=1S/C36H47FN4O4/c1-25(42)24-39-34(44)31(22-27-15-19-30(37)20-16-27)41(5)35(45)32(40(4)33(43)12-9-21-36(2,3)38)23-26-13-17-29(18-14-26)28-10-7-6-8-11-28/h6-17,19-20,25,29,31-32,42H,18,21-24,38H2,1-5H3,(H,39,44)/b12-9+/t25-,29?,31-,32-/m1/s1
PubChem CID	44348031
ChEMBL	CHEMBL331303
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
248859	Growth hormone secretagogue receptor type 1	Q92847	GHSR	Homo sapiens (Human)	366
248860	Growth hormone secretagogue receptor type 1	O08725	Ghsr	Rattus norvegicus (Rat)	364

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