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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	CID 102096776
Molecular formula	C71H90N20O15S3
IUPAC name	(2S,5S,8S,11S,14R,19R,22S,25S,28S,34S)-19-[[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-11-benzyl-34-(3-carbamimidamidopropyl)-3,6,9,12,20,23,26,36-octahydroxy-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]-5-(2-hydroxy-2-iminoethyl)-22-(1H-imidazol-5-ylmethyl)-2-(1H-indol-3-ylmethyl)-8,25-dimethyl-32-oxo-16,17,30-trithia-1,4,7,10,13,21,24,27,35-nonazabicyclo[26.4.4]hexatriaconta-3,6,9,12,20,23,26,35-octaene-14-carboximidic acid
Molecular weight	1559.81
Hydrogen bond acceptor	33
Hydrogen bond donor	22
XlogP	4.0
Synonyms	N/A
Inchi Key	APKRYKHCQYCPOP-GWRXOYJXSA-N
Inchi ID	InChI=1S/C71H90N20O15S3/c1-37-61(97)85-51(25-39-9-4-3-5-10-39)66(102)90-56(68(104)84-50(60(74)96)24-41-16-20-46(93)21-17-41)34-109-108-33-55(89-63(99)48(72)23-40-14-18-45(92)19-15-40)69(105)86-52(27-44-30-77-36-80-44)64(100)81-38(2)62(98)88-54-32-107-35-59(95)91(31-43(83-67(54)103)11-8-22-78-71(75)76)57(26-42-29-79-49-13-7-6-12-47(42)49)70(106)87-53(28-58(73)94)65(101)82-37/h3-7,9-10,12-21,29-30,36-38,43,48,50-57,79,92-93H,8,11,22-28,31-35,72H2,1-2H3,(H2,73,94)(H2,74,96)(H,77,80)(H,81,100)(H,82,101)(H,83,103)(H,84,104)(H,85,97)(H,86,105)(H,87,106)(H,88,98)(H,89,99)(H,90,102)(H4,75,76,78)/t37-,38-,43-,48-,50-,51-,52-,53-,54+,55-,56-,57-/m0/s1
PubChem CID	102096776
ChEMBL	CHEMBL2323792
IUPHAR	N/A
BindingDB	50427689
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
11088	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
11090	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
11089	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
11091	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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