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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	CHEMBL59765
Molecular formula	C23H28ClNO4
IUPAC name	ethyl 2-[[(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
Molecular weight	417.93
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	FK-175 SCHEMBL8766572 FK175 BDBM50240563 {(S)-8-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yloxy}-acetic acid ethyl ester ethyl 2-((S)-8-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yloxy)acetate fr-149175 [ Show all ]
Inchi Key	QFMUIHJMDMGJAY-UNMCSNQZSA-N
Inchi ID	InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
PubChem CID	9803988
ChEMBL	CHEMBL59765
IUPHAR	N/A
BindingDB	50240563
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
277038	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
277039	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
277036	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405
277037	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408

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