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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	4'-Aminopropiophenone
Molecular formula	C9H11NO
IUPAC name	1-(4-aminophenyl)propan-1-one
Molecular weight	149.193
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.7
Synonyms	A836965 BDBM81782 Ethyl p-aminophenyl ketone NCIOpen2_003525 p-propionyl aniline UNII-79GF917W6U 4'-Aminopropiophenone, 98% AE-641/00195035 CHEMBL3278330 HSDB 7963 NSC-404994 Propiophenone, 4'-amino- X6226 1-(4-Aminophenyl)-1-propanone 4-propionylaniline 79GF917W6U AS-19272 DTXSID7021738 MCULE-4007827061 NSC_6270 SCHEMBL221282 1-Propanone,1-(4-aminophenyl)- AC-16297 BRN 2802691 FSWXOANXOQPCFF-UHFFFAOYSA-N NSC 3187 Para-aminopropiophenone USAF uctl-1856 4-14-00-00139 (Beilstein Handbook Reference) AI3-14675 CJ-26973 I01-10422 NSC3187 Propiophenone, 4-amino- Z2658866910 1-(4-aminophenyl)propan-1-one 6170-25-8 (hydrochloride) BC210208 EINECS 200-742-7 MolPort-003-801-503 p-Aminopropiophenone STL280257 AC1L1M5U CAS_6270 FT-0631305 NSC-3187 Paraminopropiophenone WLN: ZR DV2 1-(4'-aminophenyl)-propan-1-one 4-Aminopropiophenone 70-69-9 AKOS005208691 CTK5D2845 LS-125035 NSC404994 SBB086647 ZINC1666631 1-Propanone, 1-(4-aminophenyl)- [ Show all ]
Inchi Key	FSWXOANXOQPCFF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
PubChem CID	6270
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81782
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	<10000.0 nM	PMID1513320	PDSP,BindingDB

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