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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	CHEMBL282693
Molecular formula	C28H31N5O3
IUPAC name	N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
Molecular weight	485.588
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.0
Synonyms	N-[3-[[2-(Dimethylamino)ethyl]amino]-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazole-3-yl)-1,1'-biphenyl-4-carboxamide SCHEMBL8692598 BDBM50408700
Inchi Key	BAQFINVRIZNAMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34)
PubChem CID	10624768
ChEMBL	CHEMBL282693
IUPHAR	N/A
BindingDB	50408700
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	39.81 nM	PMID9548813	BindingDB,ChEMBL

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