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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	BDBM81889
Molecular formula	C43H59N9O6
IUPAC name	(1R,8R,11S,17R,20S)-11,20-dibenzyl-23-butan-2-yl-6-[(dimethylamino)methyl]-10-methyl-3,4,10,13,19,22,25,26-octazatetracyclo[23.4.0.03,8.013,17]nonacos-26-ene-2,9,12,18,21,24-hexone
Molecular weight	798.002
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	3.1
Synonyms	J440.775J L-366,670 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-5-[(dimethylamino)methyl]-L-Pyz-N-methyl-D-Phe-]
Inchi Key	IUFVFMBGWPJZJQ-PBIKBHKTSA-N
Inchi ID	InChI=1S/C43H59N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,28,31-37,45H,6,13-14,19-20,22-27H2,1-5H3,(H,46,54)(H,47,53)/t28?,31?,32-,33+,34+,35-,36+,37?/m0/s1
PubChem CID	91898391
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81889
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
141977	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
141978	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
141979	Oxytocin receptor	P56494	OXTR	Macaca mulatta (Rhesus macaque)	389
141980	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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