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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	CHEMBL1790720
Molecular formula	C61H72N12O18S2
IUPAC name	(2R)-N-[(2S)-1-(aminomethylamino)-5-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]-1-oxopentan-2-yl]-1-[(4S,7R,10R,13R,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2R)-butan-2-yl]-19-hydroxy-16-(4-hydroxyphenyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	1325.43
Hydrogen bond acceptor	21
Hydrogen bond donor	15
XlogP	-0.9
Synonyms	BDBM50370117
Inchi Key	AKOGSKPWCBYRCU-UGSFNEPDSA-N
Inchi ID	InChI=1S/C61H72N12O18S2/c1-3-29(2)49-57(86)68-40(18-19-47(63)78)53(82)69-41(25-48(64)79)54(83)70-42(26-92-93-27-44(77)56(85)72-50(58(87)71-49)30-8-11-32(74)12-9-30)59(88)73-21-5-7-43(73)55(84)67-39(52(81)66-28-62)6-4-20-65-51(80)31-10-15-35-38(22-31)61(91-60(35)89)36-16-13-33(75)23-45(36)90-46-24-34(76)14-17-37(46)61/h8-17,22-24,29,39-44,49-50,74-77H,3-7,18-21,25-28,62H2,1-2H3,(H2,63,78)(H2,64,79)(H,65,80)(H,66,81)(H,67,84)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,72,85)/t29-,39+,40-,41-,42-,43-,44?,49-,50+/m1/s1
PubChem CID	56671720
ChEMBL	CHEMBL1790720
IUPHAR	N/A
BindingDB	50370117
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
7733	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
7734	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
7735	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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