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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	CHEMBL2371968
Molecular formula	C59H76N10O9
IUPAC name	(1S,4S,11S,14S,17S,25S)-25-[[(2S)-2-acetamidohexanoyl]amino]-14-(1H-indol-3-ylmethyl)-2,5,12,15,23,26-hexaoxo-4-[(4-phenylphenyl)methyl]-3,6,13,16,22,27-hexazatetracyclo[25.7.0.06,11.028,33]tetratriacontane-17-carboxamide
Molecular weight	1069.32
Hydrogen bond acceptor	9
Hydrogen bond donor	8
XlogP	5.4
Synonyms	BDBM50211397 CHEMBL227709 Ac-Nle4-cyclo(Asp5-Oic6-D-4,4''-Bip7-Pro8-Trp9-Lys10)-NH2
Inchi Key	BMAPOAMSOKHHLD-ZNLSIPTCSA-N
Inchi ID	InChI=1S/C59H76N10O9/c1-3-4-20-45(63-36(2)70)54(73)66-48-34-52(71)61-29-14-12-22-44(53(60)72)64-55(74)46(32-41-35-62-43-21-10-9-19-42(41)43)65-56(75)50-24-13-15-30-68(50)58(77)47(31-37-25-27-39(28-26-37)38-16-6-5-7-17-38)67-57(76)51-33-40-18-8-11-23-49(40)69(51)59(48)78/h5-7,9-10,16-17,19,21,25-28,35,40,44-51,62H,3-4,8,11-15,18,20,22-24,29-34H2,1-2H3,(H2,60,72)(H,61,71)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)/t40?,44-,45-,46-,47-,48-,49?,50-,51-/m0/s1
PubChem CID	73345617
ChEMBL	CHEMBL2371968
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
27255	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
27256	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
27257	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
27258	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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