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 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	Fluspirilene
Molecular formula	C29H31F2N3O
IUPAC name	8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	475.584
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.6
Synonyms	8-[4,4-bis(4-fluorophenyl)butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one NCGC00015424-05 AOB33780 NCGC00093913-02 BSPBio_000752 Prestwick2_000906 CHEMBL46516 SMR000058304 DSSTox_CID_25152 Tox21_110142_1 Fluspiriline HMS2233B20 J-011797 1841-19-6 MFCD00055137 MolPort-002-540-769 AB00513956 NCGC00015424-08 BCP09254 NCGC00093913-05 C5QA4GLR9M R 6218 CTK7B9885 spiropiperidine analogue, 1 DTXSID7045152 ZINC537755 Fluspirilene, European Pharmacopoeia (EP) Reference Standard HMS1570F14 HMS3402D05 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(p-fluorophenyl)butyl)-1-phenyl- Lopac0_000518 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one 8-[4,4-bis (p-fluorophenyl)butyl]-1-phenyl-1,3,8-triazino[4,5]decan-4-one NCGC00015424-03 ACM1841196 NCGC00016595-01 BRD-K77947974-001-04-9 Prestwick0_000906 CHEBI:93369 Redeptin SR-01000075385-5 F-100 Fluspirilenum HMS2089C15 Imap 1,3,8-Triazaspiro[4.5]decan-4-one,8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl- McN-JR 6218 MLS000069357 8-[4,4-bis(p-Fluorophenyl)butyl]-1-phenyl-1,3,8-triazino[4.5]decan-4-one NCGC00015424-06 API0008485 NCGC00093913-03 BSPBio_001343 Prestwick3_000906 cid_3396 SPBio_002951 DSSTox_GSID_45152 Tox21_500518 Fluspirilene (USAN/INN) FT-0668770 HMS3261H17 L001195 NCGC00015424-01 AB00513956-10 NCGC00015424-09 BDBM26948 NCGC00261203-01 CAS-1841-19-6 R-6218 D02629 SR-01000075385 EINECS 217-418-6 Fluspirileno HMS1791D05 HMS3714F14 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl- LP00518 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015424-04 AKOS015969747 NCGC00093913-01 BRN 0633853 Prestwick1_000906 SCHEMBL42082 DB04842 Tox21_110142 Fluspirilen Fluspirilenum [INN-Latin] HMS2097F14 Imap (TN) 1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane McN-JR-6218 MLS001333730 NCGC00015424-07 AS-16749 NCGC00093913-04 C29H31F2N3O QOYHHIBFXOOADH-UHFFFAOYSA-N CS-0013609 Spirodiflamine DSSTox_RID_80706 UNII-C5QA4GLR9M Fluspirilene [USAN:INN:BAN] GTPL85 HMS3372H20 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl- Lopac-F-100 5-26-04-00097 (Beilstein Handbook Reference) 8-[4,4-bis (p-fluorophenyl)butyl]- 1-phenyl-1,3,8-triazino[4,5]decan-4-one NCGC00015424-02 AC1L1FUB NCGC00015424-11 BPBio1_000828 Oprea1_804941 CCG-204608 R6218 D0U5FS SR-01000075385-1 EU-0100518 Fluspirileno [INN-Spanish] HMS1989D05 HY-B1655 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(p-fluorophenyl)butyl]-1-phenyl- LS-154759 [ Show all ]
Inchi Key	QOYHHIBFXOOADH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
PubChem CID	3396
ChEMBL	CHEMBL46516
IUPHAR	85
BindingDB	26948
DrugBank	DB04842
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	110.0 nM	PMID8935801	BindingDB

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