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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	CHEMBL3417376
Molecular formula	C66H110N22O16
IUPAC name	(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
Molecular weight	1467.74
Hydrogen bond acceptor	20
Hydrogen bond donor	18
XlogP	-5.8
Synonyms	BDBM50077996
Inchi Key	DGOUJOXCMKHATK-PTCZXMLUSA-N
Inchi ID	InChI=1S/C66H110N22O16/c1-6-7-15-42(62(101)88-29-14-21-49(88)61(100)85-52(37(4)5)64(103)104)81-59(98)47-19-12-27-86(47)51(91)33-75-53(92)39(16-8-9-24-67)78-57(96)45(31-38-32-72-35-76-38)83-58(97)46(34-89)84-56(95)44(30-36(2)3)82-54(93)40(17-10-25-73-65(68)69)79-60(99)48-20-13-28-87(48)63(102)43(18-11-26-74-66(70)71)80-55(94)41-22-23-50(90)77-41/h32,35-37,39-49,52,89H,6-31,33-34,67H2,1-5H3,(H,72,76)(H,75,92)(H,77,90)(H,78,96)(H,79,99)(H,80,94)(H,81,98)(H,82,93)(H,83,97)(H,84,95)(H,85,100)(H,103,104)(H4,68,69,73)(H4,70,71,74)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
PubChem CID	118734768
ChEMBL	CHEMBL3417376
IUPHAR	N/A
BindingDB	50077996
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
444032	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380

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