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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	2-(tert-Butylamino)-1-phenylethanol
Molecular formula	C12H19NO
IUPAC name	2-(tert-butylamino)-1-phenylethanol
Molecular weight	193.29
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.6
Synonyms	N-t-butylphenylethanolamine 18366-40-0 AKOS004910434 CHEMBL1161329 .alpha.((1,1-Dimethylethyl)aminomethyl)benzenemethanol AC1LBDVD NRVOOKOHYKJCPB-UHFFFAOYSA-N 2-(tert-butylamino)-1-phenyl-ethanol BDBM92678 2-(tert-Butylamino)-1-phenylethanol # CTK7J6429 1-Phenyl-2-(tert-butylamino)ethanol ACMC-20apgk SCHEMBL3672484 2-(tert-butylamino)-1-phenylethan-1-ol, 4 [ Show all ]
Inchi Key	NRVOOKOHYKJCPB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3
PubChem CID	533905
ChEMBL	CHEMBL1161329
IUPHAR	N/A
BindingDB	92678
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
cAMP production	43.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	0.0001 M	PMID2870189	ChEMBL
ISA	0.35 -	PMID2870189	ChEMBL
Kd	2940.0 nM	PMID2870189	BindingDB
KD app	2.94 uM	PMID2870189	ChEMBL

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