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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	CHEMBL2028848
Molecular formula	C38H51N9O7S
IUPAC name	2-[3-[(1R,11S,14S,17S,20S,23S)-23-(hydroxymethyl)-17-methyl-2,12,15,18,21,24-hexaoxo-20-(thiophen-2-ylmethyl)-3,13,16,19,22,25-hexazapentacyclo[23.8.0.03,11.04,9.027,32]tritriaconta-27,29,31-trien-14-yl]propyl]guanidine
Molecular weight	777.942
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	1.1
Synonyms	BDBM50407810
Inchi Key	IBICZXAWQIYOEV-SDWZWAOTSA-N
Inchi ID	InChI=1S/C38H51N9O7S/c1-21-32(49)44-27(18-25-11-7-15-55-25)34(51)45-28(20-48)36(53)46-19-24-10-3-2-8-22(24)16-31(46)37(54)47-29-13-5-4-9-23(29)17-30(47)35(52)43-26(33(50)42-21)12-6-14-41-38(39)40/h2-3,7-8,10-11,15,21,23,26-31,48H,4-6,9,12-14,16-20H2,1H3,(H,42,50)(H,43,52)(H,44,49)(H,45,51)(H4,39,40,41)/t21-,23?,26-,27-,28-,29?,30-,31+/m0/s1
PubChem CID	70689879
ChEMBL	CHEMBL2028848
IUPHAR	N/A
BindingDB	50407810
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
129135	B2 bradykinin receptor	Q28642	BDKRB2	Oryctolagus cuniculus (Rabbit)	367

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