Zhang Lab

National University of Singapore

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 ●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 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	Pipamperone
Molecular formula	C21H30FN3O2
IUPAC name	1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Molecular weight	375.488
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.0
Synonyms	1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-(1-piperidyl)piperidine-4-carboxamide ZINC21297287 4'-Fluoro-4-(4-N-piperidino-4-carbamidopiperidino)butyrophenone AXKPFOAXAHJUAG-UHFFFAOYSA-N CCRIS 9071 Dipiperal Isonipacotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino- NSC759178 Pipamperon Pipamperone [USAN:INN:BAN] 1'-(4-(4-fluorophenyl)-4-oxobutyl)-1,4'-bipiperidine-4'-carboxamide R 3345 SBI-0206899.P001 150093-EP2289894A2 BRN 0496532 CTK7F7159 DTXSID8048369 LS-44586 p-Fluoro-gamma-(4-piperidino-4-carbamoylpiperidino)butyrophenone Pipaneperone 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide Hydrochloride 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino-isonipacotamid SR-05000001930-1 4 inverted exclamation mark -bipiperidine)-4 inverted exclamation mark -carboxamide,1 inverted exclamation mark -(3-(p-fluorobenzoyl)propyl)-( AC1L1J1T CAS_1893-33-0 GTPL92 NCGC00165864-02 PDSP2_001544 Pipamperone HCl 1'-(3-(p-Fluorobenzoyl)propyl)(1,4'-bipiperidine)-4'-carboxamide Propitan R-3345 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide [1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]- 5-22-13-00536 (Beilstein Handbook Reference) BDBM81483 CHEBI:78549 Dipiperon Isonipecotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino- NSC_4830 Pipamperona (1,4'-BIPIPERIDINE)-4'-CARBOXAMIDE, 1'-(3-(p-FLUOROBENZOYL)PROPYL)- Pipamperonum 1'-[4-(4-fluorophenyl)-4-oxobutyl]-1,4'-bipiperidine-4'-carboxamide SCHEMBL2412 1893-33-0 C21H30FN3O2 D00DBO Floropipamide McN-JR-3345 P2315 Pipamperone (USAN/INN) 1 inverted exclamation mark -(3-(p-fluorobenzoyl)propyl)(1,4 inverted exclamation mark -bipiperidine)-4 inverted exclamation mark -carboxamide Piperonil 1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)- 1-(4-fluorophenyl)-4-(4-piperidino-4-carbamoylpiperidino)-1-butanone UNII-5402501F0W 4 inverted exclamation mark -bipiperidine)-4 inverted exclamation mark -carboxamide,1 inverted exclamation mark -(4-(4-fluorophenyl)-4-oxobutyl)-( AN-6479 CCG-213514 DB09286 HMS3264G14 NSC-759178 Pharmakon1600-01505690 pipamperone hydrochloride 1'-(3-(p-Fluorobenzoyl)propyl)-(1,4'-bipiperidine)-4'-carboxamide Propitan (Salt/Mix) R4050 150093-EP2280012A2 [1,4'-Bipiperidine]-4'-carboxamide,1'-[4-(4-fluorophenyl)-4-oxobutyl]- 5402501F0W BRD-K26801045-001-01-1 CHEMBL440294 Dipiperone L000727 p-Fluoro-.gamma.-(4-piperidino-4-carbamoylpiperidino)butyrophenone Pipamperona [INN-Spanish] (1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)- Pipamperonum [INN-Latin] 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide 1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]- SR-05000001930 2448-68-2 (di-hydrochloride) AB01563106_01 Carpiperone D02622 Fluoropipamide NCGC00165864-01 PDSP1_001560 PIPAMPERONE DIHYDROCHLORIDE APPROX. 99 1'-(3-(4-fluorobenzoyl)propyl)-(1,4'-bipiperidine) -4'-carboxamide Piperonyl [ Show all ]
Inchi Key	AXKPFOAXAHJUAG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)
PubChem CID	4830
ChEMBL	N/A
IUPHAR	92
BindingDB	81483
DrugBank	DB09286
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	5000.0 nM	PMID8935801	PDSP,BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417