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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	CHEMBL49748
Molecular formula	C27H35ClN4O4
IUPAC name	methyl 1-[(2S)-1-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-1-oxohexan-2-yl]pyrrole-2-carboxylate
Molecular weight	515.051
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.2
Synonyms	1-[(S)-2-[[4-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]phenyl]amino]-2-oxo-1-butylethyl]-1H-pyrrole-2-carboxylic acid methyl ester BDBM50047927 1-{1-[4-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-phenylcarbamoyl]-pentyl}-1H-pyrrole-2-carboxylic acid methyl ester
Inchi Key	DVMFXMITTFQZBJ-NRFANRHFSA-N
Inchi ID	InChI=1S/C27H35ClN4O4/c1-4-6-9-21(31-16-8-10-22(31)27(35)36-3)26(34)29-20-14-12-19(13-15-20)17-32-23(18-33)25(28)30-24(32)11-7-5-2/h8,10,12-16,21,33H,4-7,9,11,17-18H2,1-3H3,(H,29,34)/t21-/m0/s1
PubChem CID	44293656
ChEMBL	CHEMBL49748
IUPHAR	N/A
BindingDB	50047927
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
70046	Type-1B angiotensin II receptor	P29089	Agtr1b	Rattus norvegicus (Rat)	359

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