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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	CHEMBL3142174
Molecular formula	C39H56N10O6S
IUPAC name	(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(3S)-2-[(2S)-2-[6-(diaminomethylideneamino)hexanoylamino]-3-thiophen-2-ylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]pentanoic acid
Molecular weight	793.001
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	1.3
Synonyms	N/A
Inchi Key	KLJPNEHTISTCIP-WKUHWAOOSA-N
Inchi ID	InChI=1S/C39H56N10O6S/c40-38(41)44-17-7-1-2-16-33(50)46-29(22-27-13-9-19-56-27)35(52)48-23-26-12-4-3-10-24(26)20-32(48)36(53)49-30-15-6-5-11-25(30)21-31(49)34(51)47-28(37(54)55)14-8-18-45-39(42)43/h3-4,9-10,12-13,19,25,28-32H,1-2,5-8,11,14-18,20-23H2,(H,46,50)(H,47,51)(H,54,55)(H4,40,41,44)(H4,42,43,45)/t25?,28-,29-,30?,31-,32-/m0/s1
PubChem CID	90662796
ChEMBL	CHEMBL3142174
IUPHAR	N/A
BindingDB	N/A
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
172030	B2 bradykinin receptor	Q28642	BDKRB2	Oryctolagus cuniculus (Rabbit)	367

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