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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	SB 204741
Molecular formula	C14H14N4OS
IUPAC name	1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
Molecular weight	286.353
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.4
Synonyms	BRD-K15391446-001-11-0 D04AZE J-008905 MolPort-003-959-484 NCGC00015923-01 NCGC00025129-03 SB 204741, >98% (HPLC) SR-01000075765-3 AKOS024456556 CCG-204350 FT-0643481 Lopac-S-0693 N-(1-Methyl-1H-indo-5-yl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-04 PDSP1_001580 SB204741 ZB000747 1-(1-methyl-5-indolyl)-3-(3-methyl-5-isothiazolyl)urea BCP28144 CHEMBL323356 HMS3260D12 MFCD00923644 N-(1-METHYL-1H-INDOLYL-5-YL)-N''-(3-METHYL-5-ISOTHIAZOLYL)UREA NCGC00025129-01 S 0693 SR-01000075765 A809277 C-18040 DTXSID80390956 KB-298203 N-(1-Methyl-1H-5-indolyl)-N inverted exclamation marka-(3-methyl-5-isothiazolyl)urea NCGC00015923-02 NCGC00260940-01 SB-204,741 Tocris-1372 1-(1-methyl-1H-indol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea API0007588 CHEBI:140936 GTPL221 Lopac0_000255 N-(1-Methyl-1H-indol-5-yl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-05 PDSP2_001564 SCHEMBL3377716 ZINC16912 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea 3-(3-METHYL-1,2-THIAZOL-5-YL)-1-(1-METHYLINDOL-5-YL)UREA BDBM84991 CTK8F0087 HMS3369K08 MLS000862184 N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00025129-02 SR-01000075765-1 AC1MLYNA CAS_3277600 EU-0100255 L000536 N-(1-Methyl-1H-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-03 NSC_3277600 SB-204741 Tox21_500255 1-(1-methyl-1H-indol-5-yl)-3-(3-methylisothiazol-5-yl)urea B6708 HMS2231C03 LP00255 N-(1-Methyl-1H-indolyl-5-yl)-N''-(3-methyl-5-isothiazolyl) urea NCGC00015923-06 RTX-011453 SMR000326947 152239-46-8 [ Show all ]
Inchi Key	USFUFHFQWXDVMH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
PubChem CID	3277600
ChEMBL	CHEMBL323356
IUPHAR	221
BindingDB	84991
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	PMID8788493	PDSP,BindingDB
Ki	>100000.0 nM	PMID7699699	ChEMBL

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