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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	CHEMBL234456
Molecular formula	C54H73N13O10
IUPAC name	(3S)-3-[[(2R)-2-acetamidohexanoyl]amino]-4-[[2-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]amino]-4-oxobutanoic acid
Molecular weight	1064.26
Hydrogen bond acceptor	12
Hydrogen bond donor	12
XlogP	-1.1
Synonyms	BDBM50205742 (S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)-1-((S)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-5-guanidino-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-ylamino)
Inchi Key	BXHDPGPLCWBTJR-OLTOIJSYSA-N
Inchi ID	InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1
PubChem CID	44431510
ChEMBL	CHEMBL234456
IUPHAR	N/A
BindingDB	50205742
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
35068	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
35069	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
35071	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
35070	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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