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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	CHEMBL3799094
Molecular formula	C74H101N23O16
IUPAC name	(2S)-N-[2-[(2S)-2-[[2-[(2S)-2-[[2-[(2S)-2-[[2-[(2S)-2-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxamide
Molecular weight	1568.77
Hydrogen bond acceptor	19
Hydrogen bond donor	17
XlogP	-3.2
Synonyms	BDBM50164798
Inchi Key	BBSFNUWKFPLIJR-JDRZNSOUSA-N
Inchi ID	InChI=1S/C74H101N23O16/c75-64(104)50(32-44-34-81-47-16-5-4-15-46(44)47)91-66(106)49(18-7-25-80-74(76)77)90-67(107)51(31-43-13-2-1-3-14-43)92-68(108)52(33-45-35-78-42-88-45)89-58(98)36-82-69(109)53-19-8-26-93(53)60(100)38-84-71(111)55-21-10-28-95(55)62(102)40-86-73(113)57-23-12-30-97(57)63(103)41-87-72(112)56-22-11-29-96(56)61(101)39-85-70(110)54-20-9-27-94(54)59(99)37-83-65(105)48-17-6-24-79-48/h1-5,13-16,34-35,42,48-57,79,81H,6-12,17-33,36-41H2,(H2,75,104)(H,78,88)(H,82,109)(H,83,105)(H,84,111)(H,85,110)(H,86,113)(H,87,112)(H,89,98)(H,90,107)(H,91,106)(H,92,108)(H4,76,77,80)/t48-,49-,50-,51+,52-,53-,54-,55-,56-,57-/m0/s1
PubChem CID	127046977
ChEMBL	CHEMBL3799094
IUPHAR	N/A
BindingDB	50164798
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
522048	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
522049	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
522047	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
522046	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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