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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	CHEMBL508501
Molecular formula	C54H69N15O9
IUPAC name	(3R,6S,9S,17S,20S,23S,25R)-9-[[(2S)-2-acetamidohexanoyl]amino]-25-(diaminomethylideneamino)-6-(1H-imidazol-5-ylmethyl)-20-(1H-indol-3-ylmethyl)-3-(naphthalen-2-ylmethyl)-2,5,8,11,19,22-hexaoxo-1,4,7,12,18,21-hexazabicyclo[21.3.0]hexacosane-17-carboxamide
Molecular weight	1072.24
Hydrogen bond acceptor	11
Hydrogen bond donor	12
XlogP	0.9
Synonyms	BDBM50268800 Ac-Nle-c[Asp-His-DNal(2'')-cis-4-guanidinyl-Pro-Trp-Lys]-NH2
Inchi Key	AODONYDDQNDROG-KJOXKCFISA-N
Inchi ID	InChI=1S/C54H69N15O9/c1-3-4-14-40(62-30(2)70)48(73)66-43-25-46(71)59-19-10-9-16-39(47(55)72)64-49(74)41(22-34-26-60-38-15-8-7-13-37(34)38)67-52(77)45-24-36(63-54(56)57)28-69(45)53(78)44(21-31-17-18-32-11-5-6-12-33(32)20-31)68-50(75)42(65-51(43)76)23-35-27-58-29-61-35/h5-8,11-13,15,17-18,20,26-27,29,36,39-45,60H,3-4,9-10,14,16,19,21-25,28H2,1-2H3,(H2,55,72)(H,58,61)(H,59,71)(H,62,70)(H,64,74)(H,65,76)(H,66,73)(H,67,77)(H,68,75)(H4,56,57,63)/t36-,39+,40+,41+,42+,43+,44-,45+/m1/s1
PubChem CID	44158255
ChEMBL	CHEMBL508501
IUPHAR	N/A
BindingDB	50268800
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
442099	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
10142	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
442100	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
10141	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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