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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 1D
Species	Homo sapiens (Human)
Gene	HTR1D
Synonym	Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D 5-HT-1D-alpha 5-HT1D 5-HT1D receptor 5-HT1Dalpha 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled Gpcr14 HT1DA [ Show all ]
Disease	Acute migraine Epilepsy Migraine headaches Mood disorder Migraine Major depressive disorder Severe mood disorders [ Show all ]
Length	377
Amino acid sequence	MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProt	P28221
Protein Data Bank	N/A
GPCR-HGmod model	P28221
3D structure model	This predicted structure model is from GPCR-EXP P28221.
BioLiP	N/A
Therapeutic Target Database	T11072
ChEMBL	CHEMBL1983
IUPHAR	3
DrugBank	BE0000659

Ligand

Name	CHEMBL106807
Molecular formula	C24H31ClN4O2
IUPAC name	2-[4-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
Molecular weight	442.988
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.9
Synonyms	CHEMBL1179968 BDBM50290923 2-[4-Chloro-3-(4-methyl-piperazin-1-yl)-phenoxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone; compound with (E)-but-2-enedioic acid
Inchi Key	BBJVEASJHDPHCO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H31ClN4O2/c1-19-5-3-4-6-22(19)27-13-15-29(16-14-27)24(30)18-31-20-7-8-21(25)23(17-20)28-11-9-26(2)10-12-28/h3-8,17H,9-16,18H2,1-2H3
PubChem CID	44337731
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50290923
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	240.0 nM	N/A	BindingDB

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