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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	CHEMBL3040658
Molecular formula	C84H116N18O16
IUPAC name	N'-[2-[2-[2-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]ethoxy]ethoxy]ethyl]-N-[2-[2-[[5-[2-[2-[2-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]ethoxy]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethyl-(2-aminoethyl)amino]ethyl]pentanediamide
Molecular weight	1633.96
Hydrogen bond acceptor	18
Hydrogen bond donor	17
XlogP	2.5
Synonyms	N/A
Inchi Key	CBBOKHMTVNJLNK-FAECOVEHSA-N
Inchi ID	InChI=1S/C84H116N18O16/c85-39-48-102(49-42-88-71(105)27-13-29-73(107)90-44-51-115-55-57-117-53-46-94-83(113)100-81(86)92-40-15-25-69(77(109)96-59-61-31-35-67(103)36-32-61)98-79(111)75(63-17-5-1-6-18-63)64-19-7-2-8-20-64)50-43-89-72(106)28-14-30-74(108)91-45-52-116-56-58-118-54-47-95-84(114)101-82(87)93-41-16-26-70(78(110)97-60-62-33-37-68(104)38-34-62)99-80(112)76(65-21-9-3-10-22-65)66-23-11-4-12-24-66/h1-12,17-24,31-38,69-70,75-76,103-104H,13-16,25-30,39-60,85H2,(H,88,105)(H,89,106)(H,90,107)(H,91,108)(H,96,109)(H,97,110)(H,98,111)(H,99,112)(H4,86,92,94,100,113)(H4,87,93,95,101,114)/t69-,70-/m1/s1
PubChem CID	72205861
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50442553
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. 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
37701	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
37704	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
37702	Neuropeptide Y receptor type 4	P50391	NPY4R	Homo sapiens (Human)	375
37703	Neuropeptide Y receptor type 5	Q15761	NPY5R	Homo sapiens (Human)	445

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