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GLASS

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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	SMR000102200
Molecular formula	C21H28N2O3
IUPAC name	4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
Molecular weight	356.466
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	Oprea1_187699 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol HMS2398D24 ZINC55543493 4-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol MLS002539668 BDBM31038 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol CHEMBL1511639 MCULE-5841664505 AC1LQJ9F MolPort-002-083-982 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-2,6-dimethoxyphenol CHEBI:122021 STK118900 4-[[4-(2,3-dimethylphenyl)piperazino]methyl]-2,6-dimethoxy-phenol cid_1377033 MLS000105319 AKOS005400819 [ Show all ]
Inchi Key	FMKSCNHGTVSCMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N2O3/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-19(25-3)21(24)20(13-17)26-4/h5-7,12-13,24H,8-11,14H2,1-4H3
PubChem CID	1377033
ChEMBL	CHEMBL1511639
IUPHAR	N/A
BindingDB	31038
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	50000.0 nM	N/A	BindingDB

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