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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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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 1D
Species	Rattus norvegicus (Rat)
Gene	Htr1d
Synonym	5-HT1D receptor HTRL Htr1db HT1DA Gpcr14 5-HT-1D 5-HT1D 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled 5-HT1Dalpha Serotonin receptor 1D [ Show all ]
Disease	N/A for non-human GPCRs
Length	374
Amino acid sequence	MSLPNQSLEGLPQEASNRSLNATGAWDPEVLQALRISLVVVLSIITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWAISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQRVVHFRKAS
UniProt	P28565
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	CHEMBL5450
IUPHAR	3
DrugBank	N/A

Ligand

Name	3-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
Molecular formula	C20H21F3N4O
IUPAC name	3-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
Molecular weight	390.41
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.3
Synonyms	MCULE-4818634109 AS-35137 PDSP2_001313 BDBM84952 EBD6396 ST096086 AKOS015899995 NSC_127941 1-(2-{4-[4-(trifluoromethyl)phenyl]piperazinyl}ethyl)-3-hydrobenzimidazol-2-on e BC682546 SB18524 AC-1628 CAS_127941 LS-173616 ZINC52580607 AN-438 PDSP1_001329 BCP9000690 DTXSID30168445 SCHEMBL678268 AC1L2SWZ [ Show all ]
Inchi Key	CCIZQGRSEAHATK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21F3N4O/c21-20(22,23)15-5-7-16(8-6-15)26-12-9-25(10-13-26)11-14-27-18-4-2-1-3-17(18)24-19(27)28/h1-8H,9-14H2,(H,24,28)
PubChem CID	127941
ChEMBL	N/A
IUPHAR	N/A
BindingDB	84952
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2511.89 nM	PMID8584042	BindingDB

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