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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	BDBM81891
Molecular formula	C42H56N8O6
IUPAC name	2-amino-N-[1-[1-[2-amino-3-[2,2-bis(piperidine-1-carbonyl)imidazol-4-yl]propanoyl]-2-formylpyrrolidin-2-yl]-3-methyl-1-oxopentan-2-yl]-3-naphthalen-2-ylpropanamide
Molecular weight	768.96
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	2.2
Synonyms	NSC_188397 CAS_188397
Inchi Key	OCVKQRQVXSMCCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C42H56N8O6/c1-3-28(2)35(46-37(53)33(43)24-29-15-16-30-13-6-7-14-31(30)23-29)36(52)41(27-51)17-12-22-50(41)38(54)34(44)25-32-26-45-42(47-32,39(55)48-18-8-4-9-19-48)40(56)49-20-10-5-11-21-49/h6-7,13-16,23,26-28,33-35H,3-5,8-12,17-22,24-25,43-44H2,1-2H3,(H,46,53)
PubChem CID	53463360
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81891
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
238052	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
238053	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
238054	Oxytocin receptor	P56494	OXTR	Macaca mulatta (Rhesus macaque)	389
238051	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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