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GLASS

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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	CHEMBL88207
Molecular formula	C18H23N3O
IUPAC name	N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyridin-2-ylpropane-1,3-diamine
Molecular weight	297.402
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50403508
Inchi Key	BHFRJLAPJAERKC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23N3O/c1-2-7-17-15(6-1)9-10-16(22-17)14-19-11-5-13-21-18-8-3-4-12-20-18/h1-4,6-8,12,16,19H,5,9-11,13-14H2,(H,20,21)
PubChem CID	44323253
ChEMBL	CHEMBL88207
IUPHAR	N/A
BindingDB	50403508
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5.0 nM	N/A	BindingDB
IC50	5.012 nM	Bioorg. Med. Chem. Lett., (1995) 5:22:2649	ChEMBL

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