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GPCR

Name	Alpha-1B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1B
Synonym	alpha1B-adrenoceptor alpha1B-adrenergic receptor Alpha-1B adrenoreceptor Alpha-1B adrenoceptor alpha 1B-adrenoreceptor alpha 1B-adrenoceptor adrenergic receptor adrenergic alpha 1B receptor [ Show all ]
Disease	Psychiatric disorder Hypertension Exogenous obesity Attention deficit hyperactivity disorder
Length	520
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProt	P35368
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T29500
ChEMBL	CHEMBL232
IUPHAR	23
DrugBank	BE0000575

Ligand

Name	Pizotifen
Molecular formula	C19H21NS
IUPAC name	1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
Molecular weight	295.444
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.8
Synonyms	Pizotifenum [INN-Latin] AC1Q7FY1 Sandomigram BC203862 SCHEMBL44122 BRN 0753534 CS-1870 DSSTox_RID_77051 H903 MLS006011927 P2344 4-(9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methylpiperidine Pizotifen (INN) Pizotifene AB00514749 Pizotyline maleate (Salt/Mix) API0003882 Sandomygran Biomol-NT_000102 Tox21_112024 CAS-15574-96-6 D06XZR FIADGNVRKBPQEU-UHFFFAOYSA-N L000722 NCGC00163169-02 1-methyl-4-{6-thiatricyclo[8.4.0.0?,?]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}piperidine Piperidine, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methyl- 4-OXO-9,10-DIHYDRO-4H-BENZO(4,5) CYCLOHEPTO(1,2,B) 4-[9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene]-1-methylpiperidine Pizotifeno [INN-Spanish] AC-11996 Pizotylline BC 105 SBI-0206788.P001 BRD-K75958195-037-03-7 W-108016 DSSTox_CID_3490 FT-0655575 MCULE-5738749931 NSC_27400 4-(1-Methyl-4-piperidylidene)-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene Pizotifan Pizotifen [INN] PIZOTYLINE AKOS005612964 Sandomigran BCP14794 SMR004703517 C-18523 CTK8G2451 DTXSID6023490 HY-B0115 MolPort-002-654-036 PDSP1_001602 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine Pizotifene [INN-French] AB00514749_11 Pizotyline [USAN] AS-13328 Sanmigran BPBio1_001391 Tox21_112024_1 CAS_15574-96-6 FT-0082645 Litec NCGC00163169-03 1-methyl-4-{6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}piperidine Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl- 4-OXO-9,10-DIHYDRO-4H-BENZO(4,5) CYCLOHEPTO(1,2,B) THIOPHENE 574P966 Pizotifenum AC1L1D4Y Polomigran BC-105 SC-46107 BRD-K75958195-037-04-5 ZINC1968 CHEMBL294951 DSSTox_GSID_23490 GTPL93 MFCD00864192 Oprea1_684518 4-(9,10-dihydro-1-thiabenzo[f]azulen-4-ylidene)-1-methylpiperidine Pizotifen, >=98% (HPLC) AB0013346 Pizotyline (USAN) AN-920 Sandomigran (TN) BDBM82088 STK801341 C19H21NS D05523 EINECS 239-632-9 KS-000017QX NCGC00163169-01 0BY8440V3N PDSP2_001586 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine 4-Oxo-9,10-dihydro-4H-benzo(4,5) cyclohepto(1,2,b)thiophene Pizotifeno AB00514749_12 Pizotyline; 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine BBL009911 Sanomigran BRD-K75958195-001-01-7 UNII-0BY8440V3N CHEBI:50212 DB06153 FT-0637249 LS-115012 NCGC00163169-05 15574-96-6 Piperidine,4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl- [ Show all ]
Inchi Key	FIADGNVRKBPQEU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
PubChem CID	27400
ChEMBL	CHEMBL294951
IUPHAR	93
BindingDB	82088
DrugBank	DB06153
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank

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