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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	CHEMBL2028849
Molecular formula	C39H53N9O7S
IUPAC name	2-[3-[(1R,11S,14S,22S,25S)-25-(hydroxymethyl)-2,12,15,20,23,26-hexaoxo-22-(thiophen-2-ylmethyl)-3,13,16,21,24,27-hexazapentacyclo[25.8.0.03,11.04,9.029,34]pentatriaconta-29,31,33-trien-14-yl]propyl]guanidine
Molecular weight	791.969
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	0.9
Synonyms	BDBM50407812
Inchi Key	BSXXRIAENCZQGA-KYLHHWQISA-N
Inchi ID	InChI=1S/C39H53N9O7S/c40-39(41)43-16-5-12-27-34(51)42-15-6-14-33(50)44-28(20-26-11-7-17-56-26)35(52)46-29(22-49)37(54)47-21-25-10-2-1-8-23(25)18-32(47)38(55)48-30-13-4-3-9-24(30)19-31(48)36(53)45-27/h1-2,7-8,10-11,17,24,27-32,49H,3-6,9,12-16,18-22H2,(H,42,51)(H,44,50)(H,45,53)(H,46,52)(H4,40,41,43)/t24?,27-,28-,29-,30?,31-,32+/m0/s1
PubChem CID	70696207
ChEMBL	CHEMBL2028849
IUPHAR	N/A
BindingDB	50407812
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
32085	B2 bradykinin receptor	Q28642	BDKRB2	Oryctolagus cuniculus (Rabbit)	367

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