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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

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	1-(4-nitrophenyl)-2-[(propan-2-yl)amino]ethan-1-ol AKOS001025751 BENZYL ALCOHOL, alpha-(ISOPROPYLAMINOMETHYL)-4-NITRO- DSSTox_GSID_48693 MCULE-5460065237 nifenalol.HCl Tox21_113084 alpha-(Isopropylaminomethyl)-4-nitrobenzyl alcohol CAS-7413-36-7 EINECS 231-023-6 NCGC00160443-01 Oprea1_127426 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol AC1L1M9F Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro- CHEMBL127349 KB-215161 SR-01000196854 2-(isopropylamino)-1-(4-nitrophenyl)ethanol AKOS017268825 BRD-A21280314-001-02-7 DSSTox_RID_82889 MLS004774000 Nifenalolum Tox21_113084_1 5054-57-9 BDBM50421720 CHEBI:134921 F0264-0047 NCGC00160443-02 SCHEMBL79725 1-(4-nitrophenyl)-2-isopropylaminoethanol AC1Q1Z66 Benzenemethanol, alpha-[[(1-methylethyl)amino]methyl]-4-nitro- DSSTox_CID_28619 LS-43063 Nifenalol [INN] SR-01000196854-1 2-Isopropylamino-1-(4-nitrophenyl)ethanol alpha-((Isopropylamino)methyl)-p-nitrobenzyl alcohol Cambridge id 5144145 DTXSID9048693 MolPort-002-111-183 Nifenalolum [INN-Latin] Z56755859 1-(4-Nitrophenyl)-2-(isopropylamino)ethanol 7413-36-7 Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro isophenethanol Nefenalolum SMR002529506 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	8.77 -	PMID2836587	ChEMBL
-Log KD	6.18 -	PMID2993621	ChEMBL
Kd	1320.0 nM	PMID2993621	BindingDB,ChEMBL

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