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GLASS

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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

Ligand

Name	phenylpropanolamine
Molecular formula	C9H13NO
IUPAC name	2-amino-1-phenylpropan-1-ol
Molecular weight	151.209
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	0.8
Synonyms	NSC120735 (1S, 2S)-2-Amino-1-phenyl-propan-1-ol 2-Amino-1-phenyl-propan-1-ol 24136-EP2298772A1 37577-28-9 Benzenemethanol, .alpha.-(1-aminoethyl)- Benzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.S)- D-(+)-Norephedrine L001077 Norephedrine, (+) Phenylpropanolamine (mixed isomers) (1R, 2R)-2-Amino-1-phenyl-propan-1-ol 1-phenyl-2-aminopropanol 24136-EP2269989A1 24136-EP2301933A1 Benzenemethanol, .alpha.-(1-aminoethyl)-, [S-(R,R)]- CHEMBL136560 DLNKOYKMWOXYQA-UHFFFAOYSA-N Norpseudoephedrine, (+)- SCHEMBL98589 (1s, 2r)-(+)-norephedrine 2-Amino-1-phenyl-1-propanol 24136-EP2295406A1 24136-EP2311827A1 alpha-(1-aminoethyl)benzyl alcohol Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.S)-rel- Contac IDI1_000795 Ornade (+)2-Amino-1-phenyl-propan-1-ol (1S,2R)-(+)-Norephedrine 2-amino-1-phenylpropan-1-ol 24136-EP2298776A1 48115-38-4 Benzenemethanol, .alpha.-(1-aminoethyl)-, (R,S)-(.+/-.)- Benzenemethanol, alpha-(1-aminoethyl)- Demazin MCULE-9503580838 Norephedrine, (-) Pseudonorephedrine, (+) [cathine, (+)] (1R, 2S)-2-Amino-1-phenyl-propan-1-ol 14838-15-4 24136-EP2272825A2 24136-EP2305640A2 AC1L1IYB Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)- FT-0630600 NSC-120735 TAVIST-D (1S, 2R)-2-Amino-1-phenyl-propan-1-ol 2-Amino-1-phenyl-1-propanol # 24136-EP2295409A1 24136-EP2314590A1 BDBM50022722 Benzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.R)- CTK7J6381 KBio1_000795 NINDS_000795 (1 S,2R)-(+)-norephedrine 2-Amino-2-methyl-1-phenylethanol 24136-EP2298779A1 492A411 Benzenemethanol, .alpha.-(1-aminoethyl)-, [R-(R,S)]- beta-Hydroxy-alpha-methylphenethylamine DivK1c_000795 Norephedrine, (.+/-.)- Pseudonorephedrine, (-) [cathine, (-)] (1S, 2R )-(+)-norephedrine 2-Amino-1-hydroxy-1-phenylpropane 24136-EP2281815A1 24136-EP2308839A1 AKOS015891154 Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)-rel- CHEMBL61006 I01-9308 [ Show all ]
Inchi Key	DLNKOYKMWOXYQA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
PubChem CID	4786
ChEMBL	CHEMBL61006
IUPHAR	N/A
BindingDB	50022722
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	230000.0 nM	PMID12238918	BindingDB
Ki	<10000.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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