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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	CHEMBL321343
Molecular formula	C20H21N5O3
IUPAC name	N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-nitrobenzamide
Molecular weight	379.42
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.6
Synonyms	FXZBOGLCSOPCIH-UHFFFAOYSA-N 5-(N-[2-nitrobenzoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine N-[3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-nitro-benzamide SCHEMBL7013510 BDBM50130459
Inchi Key	FXZBOGLCSOPCIH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N5O3/c1-24-10-8-13(9-11-24)15-12-21-16-6-7-18(22-19(15)16)23-20(26)14-4-2-3-5-17(14)25(27)28/h2-7,12-13,21H,8-11H2,1H3,(H,22,23,26)
PubChem CID	11003379
ChEMBL	CHEMBL321343
IUPHAR	N/A
BindingDB	50130459
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	170.0 nM	PMID12825944	BindingDB,ChEMBL

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