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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 2B
Species	Rattus norvegicus (Rat)
Gene	Htr2b
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT-2B 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled 5-HT2F 5-HT2B receptor 5-HT2B 5-HT-2F {ECO:0000303\|PubMed:1331748} Stomach fundus serotonin receptor {ECO:0000303\|PubMed:1505525} [ Show all ]
Disease	N/A for non-human GPCRs
Length	479
Amino acid sequence	MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTLLQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSMVENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI
UniProt	P30994
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL323
IUPHAR	7
DrugBank	N/A

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	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 NSC 128882 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 AB00053672-06 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 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 AC1L1HUH 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 NINDS_000823 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 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 [ 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	79.4328 nM	PMID8450835	IUPHAR
Ki	84.8 nM	PMID8632342	BindingDB
Ki	85.11 nM	PMID7984267	BindingDB

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