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GPCR

Name	Beta-2 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB2
Synonym	beta-2 adrenergic receptor Gpcr7 beta2-adrenoceptor Adrb-2 ADRB2R ADRBR adrenergic receptor adrenoceptor beta 2, surface beta-2 adrenoreceptor Beta-2 adrenoceptor B2AR beta 2-AR [ Show all ]
Disease	Premature labour Premature ejaculation Obesity Neurogenic bladder dysfunction Hypertension Ocular hypertension Chronic obstructive pulmonary disease; Asthma Chronic obstructive pulmonary disease Chronic breathing disorders Cachexia Bronchodilator Bradycardia; Heart block Skin infections Unspecified Acute asthma Aging skin; Exacerbations of acute asthma Asthma; Chronic obstructive pulmonary disease Asthma [ Show all ]
Length	413
Amino acid sequence	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProt	P07550
Protein Data Bank	3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx
GPCR-HGmod model	P07550
3D structure model	This structure is from PDB ID 3nya.
BioLiP	BL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808
Therapeutic Target Database	T24555, T52522
ChEMBL	CHEMBL210
IUPHAR	29
DrugBank	BE0000694

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	HMS1989D05 HY-B1655 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(p-fluorophenyl)butyl]-1-phenyl- LS-154759 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] HMS2233B20 J-011797 1841-19-6 MFCD00055137 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 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 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 HMS2089C15 Imap 1,3,8-Triazaspiro[4.5]decan-4-one,8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl- McN-JR 6218 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 HMS3261H17 L001195 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 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 NCGC00015424-01 AB00513956-10 NCGC00015424-09 BDBM26948 NCGC00261203-01 CAS-1841-19-6 R-6218 D02629 SR-01000075385 EINECS 217-418-6 Fluspirileno HMS2097F14 Imap (TN) 1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane McN-JR-6218 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] 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) MLS001333730 NCGC00015424-07 AS-16749 NCGC00093913-04 C29H31F2N3O QOYHHIBFXOOADH-UHFFFAOYSA-N CS-0013609 Spirodiflamine DSSTox_RID_80706 UNII-C5QA4GLR9M Fluspirilene [USAN:INN:BAN] GTPL85 [ 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	510.0 nM	PMID8935801	PDSP,BindingDB

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