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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	CHEMBL88152
Molecular formula	C17H22N4O
IUPAC name	N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrazin-2-ylpropane-1,3-diamine
Molecular weight	298.39
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.7
Synonyms	BDBM50403500
Inchi Key	AYEIBIYQJYHJIA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22N4O/c1-2-5-16-14(4-1)6-7-15(22-16)12-18-8-3-9-20-17-13-19-10-11-21-17/h1-2,4-5,10-11,13,15,18H,3,6-9,12H2,(H,20,21)
PubChem CID	44323231
ChEMBL	CHEMBL88152
IUPHAR	N/A
BindingDB	50403500
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	10.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:22:2649	BindingDB,ChEMBL

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