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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	CHEMBL2021602
Molecular formula	C35H59N9O7
IUPAC name	(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	717.913
Hydrogen bond acceptor	9
Hydrogen bond donor	9
XlogP	-1.5
Synonyms	BDBM50416364
Inchi Key	JAAXWYFOBPFPPX-LADDKRDHSA-N
Inchi ID	InChI=1S/C35H59N9O7/c1-19(2)16-26(31(47)40-22(7)29(45)41-25(34(50)51)14-11-15-39-35(37)38)43-33(49)28(21(5)6)44-32(48)27(17-20(3)4)42-30(46)24(36)18-23-12-9-8-10-13-23/h8-10,12-13,19-22,24-28H,11,14-18,36H2,1-7H3,(H,40,47)(H,41,45)(H,42,46)(H,43,49)(H,44,48)(H,50,51)(H4,37,38,39)/t22-,24-,25+,26-,27-,28-/m0/s1
PubChem CID	70687669
ChEMBL	CHEMBL2021602
IUPHAR	N/A
BindingDB	50416364
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.

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
145719	C3a anaphylatoxin chemotactic receptor	Q16581	C3AR1	Homo sapiens (Human)	482

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