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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	MLS000861141
Molecular formula	C19H15N3O3
IUPAC name	3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
Molecular weight	333.347
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	5-(2-Furyl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole CHEMBL1526126 SMR000459925 3-(2-furanyl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole AC1LBTKW DCFSIJLWXJXSQC-UHFFFAOYSA-N VU0517972-1 4155-82-2 CCG-908 5-(2-Furyl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole # cid_564008 SR-01000638589-1 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole AKOS027445449 HMS2801O16 5-(2-furyl)-3-(4-nitrophenyl)-1-phenyl-2-pyrazoline MolPort-000-156-174 1H-Pyrazole, 5-(2-furanyl)-4,5-dihydro-3-(4-nitrophenyl)-1-phenyl- 5-Furan-2-yl-3-(4-nitro-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazole CTK5I3094 VU0352926-2 BDBM31372 MCULE-5962265369 [ Show all ]
Inchi Key	DCFSIJLWXJXSQC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2
PubChem CID	564008
ChEMBL	CHEMBL1526126
IUPHAR	N/A
BindingDB	31372
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	2488.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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