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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	BDBM50442552
Molecular formula	C86H104N18O12
IUPAC name	4-N-[2-[2-aminoethyl-[2-[[4-[4-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]butylcarbamoyl]benzoyl]amino]ethyl]amino]ethyl]-1-N-[4-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]butyl]benzene-1,4-dicarboxamide
Molecular weight	1581.89
Hydrogen bond acceptor	16
Hydrogen bond donor	19
XlogP	7.7
Synonyms	N/A
Inchi Key	HBKRFEAGUHECHZ-NKCYNRQTSA-N
Inchi ID	InChI=1S/C86H104N18O12/c87-45-54-104(55-52-92-77(109)67-37-33-65(34-38-67)75(107)90-46-13-15-48-96-85(115)102-83(88)94-50-17-27-71(79(111)98-57-59-29-41-69(105)42-30-59)100-81(113)73(61-19-5-1-6-20-61)62-21-7-2-8-22-62)56-53-93-78(110)68-39-35-66(36-40-68)76(108)91-47-14-16-49-97-86(116)103-84(89)95-51-18-28-72(80(112)99-58-60-31-43-70(106)44-32-60)101-82(114)74(63-23-9-3-10-24-63)64-25-11-4-12-26-64/h1-12,19-26,29-44,71-74,105-106H,13-18,27-28,45-58,87H2,(H,90,107)(H,91,108)(H,92,109)(H,93,110)(H,98,111)(H,99,112)(H,100,113)(H,101,114)(H4,88,94,96,102,115)(H4,89,95,97,103,116)/t71-,72-/m1/s1
PubChem CID	91898585
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50442552
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. This ligand has a partition coefficient log P greater than 5.

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
110616	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
110615	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
110613	Neuropeptide Y receptor type 4	P50391	NPY4R	Homo sapiens (Human)	375
110614	Neuropeptide Y receptor type 5	Q15761	NPY5R	Homo sapiens (Human)	445

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