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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	CHEMBL3600842
Molecular formula	C56H75N15O9
IUPAC name	(3S,6S,9R,12S,15S,23S)-15-[[(2R)-2-acetamidohexanoyl]amino]-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-4,13-dimethyl-9-(naphthalen-2-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide
Molecular weight	1102.31
Hydrogen bond acceptor	11
Hydrogen bond donor	11
XlogP	1.6
Synonyms	BDBM50112899
Inchi Key	BLUHVPTUPSCCBC-PGMQRQGHSA-N
Inchi ID	InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
PubChem CID	122184581
ChEMBL	CHEMBL3600842
IUPHAR	N/A
BindingDB	50112899
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
466224	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
466222	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
466223	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
466225	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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