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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	MELPERONE
Molecular formula	C16H22FNO
IUPAC name	1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
Molecular weight	263.356
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.3
Synonyms	Melperone [INN:BAN:DCF] MRF-0000450 Tox21_112583 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one AC1L25SI Bunil (TN) D07309 EC 609-173-2 M2622 methylperon NE31664 Z138288808 4'-Fluor-4-(4-methylpiperidino)-butyrophenone AKOS005899956 CAS-3575-80-2 DKMFBWQBDIGMHM-UHFFFAOYSA-N FLUBUPERONE Melperona Melperone (INN) Metylperonum PDSP2_000836 4-Fluoro-\|A-(4-methylpiperidino)butyrophenone BRD-K92984783-003-02-4 CHEMBL1531134 DSSTox_RID_76964 L000772 Melperonum NCGC00167744-01 Tox21_112583_1 1622-79-3 (hydrochloride) AC1Q4NIX Buronil FG 5111 melperon Methylperone NSC_15387 ZINC1672 4'-Fluor-4-(4-methylpiperidino)butyrophenon BDBM81771 CAS_3575-80-2 DSSTox_CID_3298 FT-0670987 Melperona [INN-Spanish] Melperone 1.0 mg/ml in Methanol MolPort-011-942-444 SCHEMBL146287 1-(4-Fluorophenyl)-4-(4-methyl-1-piperidinyl)-1-butanone Bunil D05RUM DTXSID0023298 LS-174559 Melperonum [INN-Latin] NCGC00167744-02 UNII-J8WA3K39B7 3575-80-2 AJ-08065 C16H22FNO DB09224 FG-5111 melperon FG 5111 Metylperon PDSP1_000849 4'-Fluoro-4-(4-methylpiperidino)butyrophenone BRD-K92984783-003-01-6 CHEBI:93626 DSSTox_GSID_23298 J8WA3K39B7 [ Show all ]
Inchi Key	DKMFBWQBDIGMHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
PubChem CID	15387
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81771
DrugBank	DB09224
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	180.0 nM	PMID11132243	BindingDB

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