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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	CHEMBL329524
Molecular formula	C25H37N5O5
IUPAC name	tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight	487.601
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	2.3
Synonyms	BDBM50026294 [1-[1-(1-Carbamoyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi Key	HKHAAIISQKVNDB-YSSFQJQWSA-N
Inchi ID	InChI=1S/C25H37N5O5/c1-14(2)11-19(22(32)28-15(3)21(26)31)29-23(33)20(30-24(34)35-25(4,5)6)12-16-13-27-18-10-8-7-9-17(16)18/h7-10,13-15,19-20,27H,11-12H2,1-6H3,(H2,26,31)(H,28,32)(H,29,33)(H,30,34)/t15-,19-,20-/m0/s1
PubChem CID	44326837
ChEMBL	CHEMBL329524
IUPHAR	N/A
BindingDB	50026294
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
117211	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452
117210	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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