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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	15532-75-9
Molecular formula	C11H13F3N2
IUPAC name	1-[3-(trifluoromethyl)phenyl]piperazine
Molecular weight	230.234
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.3
Synonyms	AC1Q4ISO RTR-006492 API0003456 Spectrum_000227 BRD-K94887716-001-01-5 TS-03280 CHEMBL274866 EINECS 239-574-4 KB-63878 1-(3-Trifluoromethyl-phenyl)-piperazine KKIMDKMETPPURN-UHFFFAOYSA- 1-(alpha,alpha,alpha-trifluoro-meta-tolyl)piperazine m-trifluoromethylphenylpiperazine 25R3ONU51C N-(alpha, alpha, alphatrifluoro-m-tolyl)piperazine 4-(3-trifluoromethyl-phenyl)-piperazine NCGC00163171-02 NSC-128882 AK-33456 SPBio_001506 BBL020111 STK397247 C-30470 VP70305 D0B9JP GTPL115 KBio2_003275 1-(3-Trifluoromethylphenyl)-piperazine KSC175O1N 1-[3-(trifluoromethyl)-phenyl]-piperazine N-(-(3-Trifluoromethyl)phenyl)piperazine 3-trifluoromethyl phenyl piperazine N-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazine Piperazine, 1-[3-(trifluoromethyl)phenyl]- AN-17206 Spectrum4_001090 BPBio1_000221 TL8001167 CHEBI:83536 ZX-BK000802 DivK1c_000823 J-503381 1-(3-(Trifluoromethyl)phenyl)piperazine KBioGR_001480 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperazine Legal X [Street Name] N-(alpha, alpha, alpha-trifluoro-m-tolyl)-piperazine 4-(3-(trifluoromethyl)phenyl)piperazine N-[3-(trifluoromethyl)phenyl]piperazine AC1L1HUH AE-641/01084056 SBB040459 ARP-0235 ST24026866 BRD-K94887716-003-02-9 UNII-25R3ONU51C CS-W007879 EN300-33997 (3-Trifluoromethylphenyl) piperazine KBio1_000823 1-(3-Trifluoromethyl-phenyl)-piperazine(TFMPP) KKIMDKMETPPURN-UHFFFAOYSA-N 1-(m-Trifluoromethylphenyl) piperazine MCULE-5364362451 3-(1-Piperazinyl)benzotrifluoride N-(alpha,alpha,alpha-Trifluoro-3-tolyl)piperazine 4-(3-trifluoromethyl-phenyl)piperazine NINDS_000823 NSC128882 AKOS000120334 Spectrum2_001573 BDBM50007406 T-6427 C-4804 W3382 D0V5HV IDI1_000823 1(-(3-Trifluoromethyl)phenyl)piperazine KBio2_005843 1-(3-Trifluoromethylphenyl)piperazine L001047 1-[3-(trifluoromethyl)phenyl]-piperazine N-(3-trifluoromethylphenyl)-piperazine 3-trifluoromethylphenyl piperazine N-(m-Trifluoromethylphenyl)piperazine AB0002091 AC1Q4ISN PubChem20946 ANW-21561 Spectrum5_001131 BR-33456 TR-006492 [3-(trifluoromethyl)phenyl]piperazine DTXSID10165876 Jsp003042 1-(3-trifluoromethyl)phenylpiperazine KBioSS_000707 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperazine, analytical standard, 96% LS-184023 N-(alpha, alpha, alpha-trifluoro-m-tolyl)piperazine 4-(3-trifluoromethyl- phenyl)-piperazine NCGC00163171-01 AJ-09273 SCHEMBL231692 AX8018584 ST50213745 BSPBio_002579 UPCMLD0ENAT5654924:001 CTK0H5716 FT-0629725 (3-Trifluoromethylphenyl)piperazine KBio2_000707 1-(3-trifluoromethyl-phenyl)piperazine KS-00000IX8 1-(m-trifluoromethylphenyl)piperazine MFCD00005959 3-trifluoro methylphenylpiperazine N-(alpha,alpha,alpha-trifluoro-m-tolyl)-piperazine 4-(3-trifluoromethylphenyl)piperazine NSC 128882 PIP077 AM20060396 Spectrum3_000970 Biomol-NT_000117 TFMPP CC-03643 ZINC56464 DB-024584 InChI=1/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2 1-(3-(trifluoromethyl)phenyl) piperazine KBio3_001799 1-(alpha, alpha, alpha-trifluoro-m-tolyl)piperazine Legal E [Street Name] 1-[3-(Trifluoromethyl)phenyl]piperazine N-(3-trifluoromethylphenyl)piperazine 3-trifluoromethylphenylpiperazine N-[3-(trifluoromethyl) phenyl]-piperazine AB00053672-06 [ Show all ]
Inchi Key	KKIMDKMETPPURN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
PubChem CID	4296
ChEMBL	CHEMBL274866
IUPHAR	115
BindingDB	50007406
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	570.0 nM	PMID2664084	PDSP,BindingDB
Ki	3981.07 - 6309.57 nM	PMID8863519, PMID8380639, PMID14744596	IUPHAR
Ki	6293.0 nM	PMID1513320	PDSP,BindingDB
Ki	6309.57 nM	PMID7984267	PDSP,BindingDB

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