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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	Nifenalol
Molecular formula	C11H16N2O3
IUPAC name	1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol
Molecular weight	224.26
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.1
Synonyms	nifenalol.HCl Tox21_113084 1-(4-nitrophenyl)-2-[(propan-2-yl)amino]ethan-1-ol AKOS001025751 BENZYL ALCOHOL, alpha-(ISOPROPYLAMINOMETHYL)-4-NITRO- DSSTox_GSID_48693 MCULE-5460065237 NCGC00160443-01 Oprea1_127426 alpha-(Isopropylaminomethyl)-4-nitrobenzyl alcohol CAS-7413-36-7 EINECS 231-023-6 SR-01000196854 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol AC1L1M9F Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro- CHEMBL127349 KB-215161 Nifenalolum Tox21_113084_1 2-(isopropylamino)-1-(4-nitrophenyl)ethanol AKOS017268825 BRD-A21280314-001-02-7 DSSTox_RID_82889 MLS004774000 NCGC00160443-02 SCHEMBL79725 5054-57-9 BDBM50421720 CHEBI:134921 F0264-0047 Nifenalol [INN] SR-01000196854-1 1-(4-nitrophenyl)-2-isopropylaminoethanol AC1Q1Z66 Benzenemethanol, alpha-[[(1-methylethyl)amino]methyl]-4-nitro- DSSTox_CID_28619 LS-43063 Nifenalolum [INN-Latin] Z56755859 2-Isopropylamino-1-(4-nitrophenyl)ethanol alpha-((Isopropylamino)methyl)-p-nitrobenzyl alcohol Cambridge id 5144145 DTXSID9048693 MolPort-002-111-183 Nefenalolum SMR002529506 1-(4-Nitrophenyl)-2-(isopropylamino)ethanol 7413-36-7 Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro isophenethanol [ Show all ]
Inchi Key	UAORFCGRZIGNCI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16N2O3/c1-8(2)12-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3
PubChem CID	6317
ChEMBL	CHEMBL127349
IUPHAR	N/A
BindingDB	50421720
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
332070	Beta-2 adrenergic receptor	Q28044	ADRB2	Bos taurus (Bovine)	418
332071	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413

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