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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Histamine H1 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh1
Synonym	H1 receptor H1R HH1R Hisr
Disease	N/A for non-human GPCRs
Length	486
Amino acid sequence	MSFANTSSTFEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVHSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFFSFLWVIPILGWHHFMPPAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPSFSELKLRSDDTKEGAKKPGRESPWGVLKRPSRDPSVGLDQKSTSEDPKMTSPTVFSQEGERETRPCFRLDIMQKQSVAEGDVRGSKANDQALSQPKMDEQSLNTCRRISETSEDQTLVDQQSFSRTTDSDTSIEPGPGRVKSRSGSNSGLDYIKITWKRLRSHSRQYVSGLHLNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKSCCSEPMHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P31390
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	CHEMBL4701
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SERTINDOLE
Molecular formula	C24H26ClFN4O
IUPAC name	1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Molecular weight	440.947
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.1
Synonyms	NCGC00181782-03 Serdolect 1-(2-(4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl)-ethyl)-imidazolidin-2-one sertindole hydrochloride 1-[2-[4-[5-Chloro-1-(p-fluorophenyl)indol-3-yl]piperidino]ethyl]-2-imidazolidinone SR-01000872708-1 API0004163 DSSTox_CID_28893 GVV4Z879SP LS-79363 MFCD00867749 RT-015689 SerLect (TN) 1-(2-{4-[5-Chloro-1-(p-fluorophenyl)indol-3-yl]piperidino}ethyl)-2-imidazolidinone Sertindole, >=97.5% (HPLC) 2-Imidazolidinone, 1-(2-(4-(5-chloro-1-(4-fluorophenyl)-1H-indole-3-yl)-1-piperidinyl)ethyl)- Tox21_113421_1 AC1L1SNB C07567 CTK8E8304 DTXSID6048967 HY-14543 NCGC00181782-01 S0942 1-(2-(4-(5-Chloro-1-(4-fluorophenyl)-1H-indole-3-yl)-1-piperidinyl)ethyl)-2-imidazolidinone 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-1-piperidyl]ethyl]imidazolidin-2-one SMR002204118 5-Chloro-1-(4'-fluorophenyl)-3-(1-(2-imidazolidinon-1-ylethyl)-4-piperidyl)-1H-indole ZINC538337 AKOS015962616 CCG-220640 FT-0674562 KS-000017R2 PDSP1_001561 Serdolect (TN) 1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1-piperidinyl}ethyl)-2-imidazolidinone Sertindole [USAN:INN:BAN] 106516-24-9 Tox21_113408 BCP27121 CHEMBL12713 DSSTox_GSID_48967 GZKLJWGUPQBVJQ-UHFFFAOYSA-N Lu 23-174 MLS003899237 S-1991 1-(2-(4-(5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl)-1-piperidinyl)ethyl)-2-imidazolidinone Sertindol 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1h-indol-3-yl]-1-piperidinyl]ethyl]-2-imidazolidinone Sertindolum 2-Imidazolidinone, 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1-piperidinyl]ethyl]- TRA0069359 AC1Q4NTT C24H26ClFN4O D00561 EBD52281 J-001604 NCGC00181782-02 SCHEMBL112092 1-(2-(4-(5-Chloro-1-(p-fluorophenyl)indol-3-yl)piperidino)ethyl)-2-imidazolidinone Sertindole (USAN/INN) 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one SR-01000872708 5-chloro-1-(4-fluorophenyl)-3-[1-[2-(2-imidazolidinon-1-yl)ethyl]-4-piperidyl]-1H-indole AN-34348 CHEBI:9122 DB06144 GTPL98 L001396 Lu-23-174 PDSP2_001545 SerLect 1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]piperidin-1-yl}ethyl)imidazolidin-2-one Sertindole [USAN:INN] 2-Imidazolidinone, 1-(2-(4-(5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl)-1-piperidinyl)ethyl)- Tox21_113421 AB0088632 BDBM50001786 CS-2932 DSSTox_RID_83161 HMS3713P22 MolPort-005-933-379 S-7882 1-(2-(4-(5-Chloro-1-(4-fluorophenyl)-1H-indol-3-yl)piperidin-1-yl)ethyl)imidazolidin-2-one Sertindol [INN-Spanish] 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-indol-3-yl]-1-piperidyl]ethyl]imidazolidin-2-one Sertindolum [INN-Latin] 5-Chloro-1-(4'-fluorophenyl)-3-(1-(2-(2imidazolidinon-1-yl)ethyl)-4-piperidyl)-1H-indole UNII-GVV4Z879SP AJ-23391 CAS-106516-24-9 D0OS6O EX-A883 KB-80556 [ Show all ]
Inchi Key	GZKLJWGUPQBVJQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
PubChem CID	60149
ChEMBL	CHEMBL12713
IUPHAR	98
BindingDB	50001786
DrugBank	DB06144
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	440.0 nM	PMID9430133	BindingDB

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