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GPCR

Name	Alpha-1A adrenergic receptor
Species	Cavia porcellus (Guinea pig)
Gene	ADRA1A
Synonym	Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNIPKAILLGVILGVLILFGVPGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMSLCIISIDRYIGVSYPLRYPTIVTQRRGLRALLCLWALSLVISIGPLFGWRQPAPQDETICQINEDPSYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLTSGLKTDKSDSEQVTLRIHRKNAPLGGSGVASSKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLKIQCLRRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYKISKTDGVCEWKFFSSMPRGSARITVPKDQSACTTARVRSKSFLQVCCCVGPSTPNPGENHQVPTIKIHTISLSENGEEV
UniProt	Q9WU25
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	CHEMBL2150843
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	spiperone
Molecular formula	C23H26FN3O2
IUPAC name	8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	395.478
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BSPBio_000196 Prestwick0_000288 CHEMBL267930 regid855701 DSSTox_GSID_45205 Spectrum2_001426 GTPL3300 Spiperone, solid HMS3371L01 KBio3_002459 MFCD00055099 4X6E73CJ0Q NCGC00015964-05 8-[4-(4-fluorophenyl)-4-oxo-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one NCGC00015964-13 AKOS024282958 NINDS_000566 Spiropitan (TN) UNII-4X6E73CJ0Q NSC-757864 C23H26FN3O2 Prestwick3_000288 D04TIH SCHEMBL116031 E 525 Spectrum5_000987 HMS1921L09 IDI1_000566 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl- L000569 36693-EP2311801A1 MolPort-003-666-371 8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane NCGC00015964-08 NCGC00022260-02 BN0500 SR-01000000261-8 [3H]-spiperone Opera_ID_1551 CHEBI:9233 R 5147, Spiroperidol DKGZKTPJOSAWFA-UHFFFAOYSA-N SPBio_002415 Espiperona [INN-Spanish] Spiperone (JAN/USAN) HMS2095J18 KBio2_004191 1,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl- LS-154780 36693-EP2371814A1 NCGC00015964-03 8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015964-11 AB00052224_16 NCGC00022260-06 BRD-K55468218-003-01-0 Spiroperone Tox21_110269 BSPBio_002959 Prestwick1_000288 cid_5265 REGID_for_CID_5265 DSSTox_RID_80749 Spectrum3_001460 GTPL99 Spiperonum HMS3712J18 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorobenzoyl)propyl)-1-phenyl- KBioGR_000862 MLS000028615 749-02-0 NCGC00015964-06 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015964-17 API0004229 NSC 170983 SR-01000000261 WLN: T6N DXTJ A3VR DF& D-& CT5MVXN EHJ DR NSC170983 CAS-749-02-0 Prestwick_624 D05EQG SMR000058674 EINECS 212-024-0 Spectrum_001143 HMS2089E16 KBio1_000566 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl- Lopac-S-7395 36693-EP2311802A1 NCGC00015964-01 8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015964-09 AB00052224 NCGC00022260-04 BPBio1_000216 Spiroperidol ST059306 [3H]-Spiroperidol BRN 0632204 Pharmakon1600-01501152 R-5147 DSSTox_CID_25205 SPECTRUM1501152 FT-0674639 Spiperone [USAN:INN:BAN:JAN] HMS2235E11 KBio2_006759 1-(4-Fluorophenyl)-4-(4-hydroxy-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-8-yl)-1-butanone # MCULE-7534168791 4-Phenyl-8-[3-(4-fluorobenzoyl)propyl]-1-oxo-2,4,8-triazaspiro[4,5]decane NCGC00015964-04 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015964-12 AC1L1JYU NCGC00022260-07 Spiropitan Tox21_110269_1 Butyrophenone, 4'-fluoro-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decan-8-yl)- Prestwick2_000288 D01051 SBI-0051039.P003 DTXSID5045205 Spectrum4_000451 HMS1568J18 Spiperonum [INN-Latin] HMS501M08 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl- KBioSS_001623 36693-EP2272537A2 MLS001076321 8-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one NCGC00015964-07 8-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one NCGC00016536-01 BDBM21397 NSC-170983 SR-01000000261-5 ZINC643233 NSC757864 CCG-38975 R 5147 DivK1c_000566 SPBio_001532 Espiperona HMS2092H17 KBio2_001623 1,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl- Lopac0_001069 36693-EP2311803A1 NCGC00015964-02 8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,8-triazaspiro[4.5]decan-4-one NCGC00015964-10 AB00052224-15 NCGC00022260-05 BRD-K55468218-001-05-5 Spiroperidone Tocris-0995 [3H]spiperone [ Show all ]
Inchi Key	DKGZKTPJOSAWFA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
PubChem CID	5265
ChEMBL	CHEMBL267930
IUPHAR	99, 3300
BindingDB	21397
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	5.01 nM	PMID9653897	BindingDB
Ki	12.59 nM	PMID9653897	BindingDB
Ki	63.1 nM	PMID9653897	BindingDB

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