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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

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	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 Pizotifen, >=98% (HPLC) AB0013346 Pizotyline (USAN) AN-920 Sandomigran (TN) BDBM82088 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- 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 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) Pizotifenum [INN-Latin] AC1Q7FY1 Sandomigram BC203862 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) Pizotifene AB00514749 Pizotyline maleate (Salt/Mix) API0003882 Sandomygran 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 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 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 Pizotifen [INN] PIZOTYLINE AKOS005612964 Sandomigran BCP14794 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 Pizotifene [INN-French] AB00514749_11 Pizotyline [USAN] AS-13328 Sanmigran 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 574P966 Pizotifenum AC1L1D4Y Polomigran BC-105 [ 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
Ki	2187.76 nM	PMID6225026	BindingDB
Ki	6165.95 nM	PMID6225026	BindingDB

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