Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
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	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 AC1Q4ISO RTR-006492 API0003456 Spectrum_000227 BRD-K94887716-001-01-5 TS-03280 CHEMBL274866 EINECS 239-574-4 KB-63878 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 NSC-128882 AK-33456 SPBio_001506 BBL020111 STK397247 C-30470 VP70305 D0B9JP GTPL115 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 Piperazine, 1-[3-(trifluoromethyl)phenyl]- AN-17206 Spectrum4_001090 BPBio1_000221 TL8001167 CHEBI:83536 ZX-BK000802 DivK1c_000823 J-503381 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 AE-641/01084056 SBB040459 ARP-0235 ST24026866 BRD-K94887716-003-02-9 UNII-25R3ONU51C CS-W007879 EN300-33997 (3-Trifluoromethylphenyl) 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 NSC128882 AKOS000120334 Spectrum2_001573 BDBM50007406 T-6427 C-4804 W3382 D0V5HV IDI1_000823 1(-(3-Trifluoromethyl)phenyl)piperazine 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 AC1Q4ISN PubChem20946 ANW-21561 Spectrum5_001131 BR-33456 TR-006492 [3-(trifluoromethyl)phenyl]piperazine DTXSID10165876 Jsp003042 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 AJ-09273 SCHEMBL231692 AX8018584 ST50213745 BSPBio_002579 UPCMLD0ENAT5654924:001 CTK0H5716 FT-0629725 (3-Trifluoromethylphenyl)piperazine 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 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 [ 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
Hill coefficient	0.97 -	PMID3172131	ChEMBL
IC50	290.0 nM	PMID2374139	BindingDB,ChEMBL
Ki	80.6 nM	PMID2565400	BindingDB,ChEMBL
Ki	173.78 nM	PMID8568799	ChEMBL
Ki	175.0 nM	PMID3172131, PMID8893838	BindingDB,ChEMBL
Ki	1950.0 nM	PMID3543362	BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218