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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	CHEMBL2432051
Molecular formula	C21H27NO3
IUPAC name	(8S)-N-[(3,4,5-trimethoxyphenyl)methyl]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Molecular weight	341.451
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50440990
Inchi Key	CPLYGLAQLNAQOI-SEDVZXITSA-N
Inchi ID	InChI=1S/C21H27NO3/c1-23-14-4-9(5-15(24-2)21(14)25-3)8-22-20-17-11-7-12-16-10(11)6-13(17)18(16)19(12)20/h4-5,10-13,16-20,22H,6-8H2,1-3H3/t10?,11?,12?,13?,16?,17?,18?,19?,20-/m0/s1
PubChem CID	73349359
ChEMBL	CHEMBL2432051
IUPHAR	N/A
BindingDB	50440990
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 %	PMID23981939	ChEMBL

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