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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	CHEMBL2028838
Molecular formula	C34H44N8O5S
IUPAC name	2-[3-[(1R,11S,14S,20S)-2,12,15,18,21-pentaoxo-20-(thiophen-2-ylmethyl)-3,13,16,19,22-pentazapentacyclo[20.8.0.03,11.04,9.024,29]triaconta-24,26,28-trien-14-yl]propyl]guanidine
Molecular weight	676.837
Hydrogen bond acceptor	7
Hydrogen bond donor	5
XlogP	1.4
Synonyms	BDBM50407798
Inchi Key	WTVAGRLSKNGDBG-VCDHWJRKSA-N
Inchi ID	InChI=1S/C34H44N8O5S/c35-34(36)37-13-5-11-24-30(44)38-18-29(43)39-25(17-23-10-6-14-48-23)32(46)41-19-22-9-2-1-7-20(22)15-28(41)33(47)42-26-12-4-3-8-21(26)16-27(42)31(45)40-24/h1-2,6-7,9-10,14,21,24-28H,3-5,8,11-13,15-19H2,(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t21?,24-,25-,26?,27-,28+/m0/s1
PubChem CID	10032469
ChEMBL	CHEMBL2028838
IUPHAR	N/A
BindingDB	50407798
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
382266	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
382267	B2 bradykinin receptor	Q28642	BDKRB2	Oryctolagus cuniculus (Rabbit)	367

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