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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 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

Ligand

Name	5'-N-methylcarboxamidoadenosine
Molecular formula	C11H14N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular weight	294.271
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-1.1
Synonyms	(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide AC1L409F LS-143777 PDSP2_001279 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methylribofuranuronamide hemihydrate AKOS027381450 NCGC00162060-02 ZINC1683110 CHEMBL519809 PDSP1_001295 (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-n-methyltetrahydrofuran-2-carboxamide(non-preferred name) AC1Q5L9P MECA Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-methyl-, hemihydrate 35788-27-3 BDBM50407975 NSC 148458 (2S,3S,4R)-5-(6-Aminopurin-9-yl)-N-methyl-3,4-dihydroxy-oxolane-2-carboxamide FT-0771045 PDSP2_000984 (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide Adenosine-5'-(N-methyl)carboxamide hemihydrate NCGC00162060-01 SCHEMBL10001413 5'-N-Methylcarboxamideadenosine PDSP1_001000 [ Show all ]
Inchi Key	PLYRYAHDNXANEG-QMWPFBOUSA-N
Inchi ID	InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
PubChem CID	98567
ChEMBL	CHEMBL519809
IUPHAR	N/A
BindingDB	50407975
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>50.0 %	PMID27933810	ChEMBL

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