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 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

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	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 R4050 150093-EP2280012A2 [1,4'-Bipiperidine]-4'-carboxamide,1'-[4-(4-fluorophenyl)-4-oxobutyl]- 5402501F0W BRD-K26801045-001-01-1 CHEMBL440294 Dipiperone NCGC00165864-01 PDSP1_001560 PIPAMPERONE DIHYDROCHLORIDE APPROX. 99 1'-(3-(4-fluorobenzoyl)propyl)-(1,4'-bipiperidine) -4'-carboxamide Piperonyl 1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]- SR-05000001930 2448-68-2 (di-hydrochloride) AB01563106_01 Carpiperone D02622 Fluoropipamide 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 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 LS-44586 p-Fluoro-gamma-(4-piperidino-4-carbamoylpiperidino)butyrophenone Pipaneperone 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide Hydrochloride SBI-0206899.P001 150093-EP2289894A2 BRN 0496532 CTK7F7159 DTXSID8048369 NCGC00165864-02 PDSP2_001544 Pipamperone HCl 1'-(3-(p-Fluorobenzoyl)propyl)(1,4'-bipiperidine)-4'-carboxamide Propitan 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 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 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 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)- SCHEMBL2412 1893-33-0 C21H30FN3O2 D00DBO Floropipamide HMS3264G14 NSC-759178 Pharmakon1600-01505690 pipamperone hydrochloride 1'-(3-(p-Fluorobenzoyl)propyl)-(1,4'-bipiperidine)-4'-carboxamide Propitan (Salt/Mix) 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 [ 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	160.0 nM	PMID8935801	PDSP,BindingDB
Ki	630.957 nM	PMID8935801	IUPHAR

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