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

Name	5-hydroxytryptamine receptor 1D
Species	Mus musculus (Mouse)
Gene	Htr1d
Synonym	HTRL Htr1db HT1DA Gpcr14 5-HT-1D 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled 5-HT1Dalpha 5-HT1D receptor 5-HT1D serotonin receptor 1D [ Show all ]
Disease	N/A for non-human GPCRs
Length	374
Amino acid sequence	MSPPNQSLEGLPQEASNRSLNVTGAWDPEVLQALRISLVVVLSVITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWIISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQKVVHFRKIS
UniProt	Q61224
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	CHEMBL4297
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL43297
Molecular formula	C26H29FN4O2
IUPAC name	4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-N-pyridin-2-ylbenzamide
Molecular weight	448.542
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.3
Synonyms	BDBM50076429 N-(2-Pyridyl)-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-3-methyl-4-fluorobenzamide 4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-3-methyl-N-pyridin-2-yl-benzamide
Inchi Key	MWCWNEWLVWIYOH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
PubChem CID	10623356
ChEMBL	CHEMBL43297
IUPHAR	N/A
BindingDB	50076429
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	2.9 nM	PMID10229627	BindingDB,ChEMBL
Ki	4.0 nM	PMID10229627	BindingDB
Ki	4.02 nM	PMID10229627	ChEMBL

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