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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	CHEMBL1170643
Molecular formula	C34H57N9O8
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	719.885
Hydrogen bond acceptor	10
Hydrogen bond donor	10
XlogP	-2.6
Synonyms	BDBM50322658 (2S,5S,8S,11S,14S,17S)-17-amino-8-butyl-2-(3-guanidinopropyl)-11-((R)-1-hydroxyethyl)-14-isobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid
Inchi Key	MKKGEZVOKSJLHB-XCPBJYSRSA-N
Inchi ID	InChI=1S/C34H57N9O8/c1-6-7-14-24(30(47)39-20(4)28(45)41-25(33(50)51)15-11-16-38-34(36)37)40-32(49)27(21(5)44)43-31(48)26(17-19(2)3)42-29(46)23(35)18-22-12-9-8-10-13-22/h8-10,12-13,19-21,23-27,44H,6-7,11,14-18,35H2,1-5H3,(H,39,47)(H,40,49)(H,41,45)(H,42,46)(H,43,48)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
PubChem CID	46855776
ChEMBL	CHEMBL1170643
IUPHAR	N/A
BindingDB	50322658
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
207639	C3a anaphylatoxin chemotactic receptor	Q16581	C3AR1	Homo sapiens (Human)	482

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