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GLASS

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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	cinnarizine
Molecular formula	C26H28N2
IUPAC name	1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine
Molecular weight	368.524
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.8
Synonyms	1-trans-Cinnamyl-4-diphenylmethylpiperazine Giganten 298-57-7 HMS3712H18 AC1LU5GC Labyrin Artate MFCD00056037 C26H28N2 N-Benzhydryl-N'-cinnamylpiperazine CHEBI:31403 NCGC00021488-03 Cinazyn Piperazine, (E)- Cinnarizine, powder D01295 1-Benzhydryl-4-cinnamylpiperazin DSSTox_GSID_22821 SR-01000003093-2 Stunarone UNII-3DI2E1X18L R 1575 SCHEMBL44958 EBD32904 1412-EP2280008A2 Hilactan 4-((2E)-3-phenylprop-2-enyl)-1-(diphenylmethyl)piperazine Ixertol AOB5321 Lopac0_000314 BRD-K07220430-001-03-6 MLS000028498 CCG-204409 NCGC00018187-04 cid_1547484 NCGC00260999-01 Prestwick2_000278 Cinnarizinum 1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)-piperazine Denapol 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine STK216257 Stutgin W-110442 R-516 Sepan 1-Cinnamyl-4-(diphenylmethyl)piperazine EU-0100314 1412-EP2305219A1 HMS2234B20 7002-58-6 (di-hydrochloride) KS-5155 Apotomin Marisan BSPBio_000156 MLS002222167 Cero-Aterin NCGC00018187-07 Cinarizina [INN-Spanish] Olamin Cinnarizine [USAN:INN:BAN:JAN] Corathiem 1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine Dimitronal Spaderizine Stugeron (TN) Tox21_110109_1 Processine SC-14096 DSSTox_RID_76744 1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine Glanil 298C577 HY-B1090 AKOS002134299 Lazeta BDBM50017657 Midronal Carecin NCGC00015246-02 NCGC00021488-04 Cinnacet Piperazine, 1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)- Cinnarizine-d8 (E)-1-Benzhydryl-4-cinnamylpiperazine D0Q3YO 1-Benzhydryl-4-cinnamylpiperazine SR-01000003093-6 Stunarone (TN) Votegol R 516 Sedatromin Eglen 1412-EP2298764A1 HMS1568H18 J10228 Aplactan LP00314 BRD-K74927006-001-01-2 MLS001148649 Cerebolan NCGC00018187-05 Cinaperazine NSC-290687 Cinnarizine (JAN/USAN/INN) Cinnarizinum [INN-Latin] 1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazine DERZBLKQOCDDDZ-JLHYYAGUSA-N 1-benzhydryl-4-[(E)-cinnamyl]piperazine Siptazin Stonoron Toliman Zepamol Prestwick3_000278 S4727 1-Cinnamyl-4-diphenylmethylpiperazine Folcodal 16699-20-0 HMS3260P10 A820077 L001227 ARONIS27007 MD 516 C 5270 MolPort-002-056-760 CHEBI:131176 NCGC00018187-09 Cinarizine Opera_ID_1776 Cinnarizine, European Pharmacopoeia (EP) Reference Standard CS-4656 1-(diphenylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine DSSTox_CID_2821 SR-01000003093 Stugeron\|Dimitronal\|Stutgin\|Cinarizine Tox21_500314 QTL1_000023 SCHEMBL44957 DTXSID3022821 1412-EP2275420A1 GTPL9072 3DI2E1X18L I01-3582 AN-25314 Libotasin BPBio1_000172 Mitronal CAS-298-57-7 NCGC00018187-03 CHEMBL43064 NCGC00021488-05 Cinnageron Piperazine, 1-cinnamyl-4-(diphenylmethyl)- Cinnarizine; 1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)-piperazine 1-(Diphenylmethyl)-4-(3-phenyl-2-propen-1-yl)piperazine 1-benzhydryl-4-[(2E)-3-phenylprop-2-enyl]piperazine ST069378 Stutgeron W-106970 R-1575 Senoger 1-Benzhydryl-4-[3-phenyl-2-propenyl]piperazine # EINECS 206-064-8 1412-EP2298765A1 HMS2095H18 516 MD Katoseran Aplexal LS-111394 BRN 0626121 MLS002207295 Cerepar NCGC00018187-06 Cinarizina NSC290687 Cinnarizine Stugeron component of Emesazine (Salt/Mix) 1-(diphenylmethyl)-4-(3-phenylprop-2-en-1-yl)piperazine Dimitron SMR000058307 Stugeron Tox21_110109 ZINC19632891 Prestwick_115 SBB057016 [ Show all ]
Inchi Key	DERZBLKQOCDDDZ-JLHYYAGUSA-N
Inchi ID	InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
PubChem CID	1547484
ChEMBL	CHEMBL43064
IUPHAR	N/A
BindingDB	50017657
DrugBank	DB00568
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1919.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	777.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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