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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	CHEMBL450041
Molecular formula	C30H40N10O2
IUPAC name	5-[[(2R)-2-(diaminomethylideneamino)-4-methylpentanoyl]amino]-1-[3-(diaminomethylideneamino)propyl]-N-[2-(1H-indol-3-yl)ethyl]indole-2-carboxamide
Molecular weight	572.718
Hydrogen bond acceptor	4
Hydrogen bond donor	7
XlogP	2.0
Synonyms	BDBM50244305 5-((R)-2-Guanidino-4-methyl-pentanoylamino)-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide
Inchi Key	CREJDTXJRYWTPO-XMMPIXPASA-N
Inchi ID	InChI=1S/C30H40N10O2/c1-18(2)14-24(39-30(33)34)27(41)38-21-8-9-25-20(15-21)16-26(40(25)13-5-11-36-29(31)32)28(42)35-12-10-19-17-37-23-7-4-3-6-22(19)23/h3-4,6-9,15-18,24,37H,5,10-14H2,1-2H3,(H,35,42)(H,38,41)(H4,31,32,36)(H4,33,34,39)/t24-/m1/s1
PubChem CID	44561525
ChEMBL	CHEMBL450041
IUPHAR	N/A
BindingDB	50244305
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
48723	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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