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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

Ligand

Name	Spiramide
Molecular formula	C22H26FN3O2
IUPAC name	8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	383.467
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.4
Synonyms	Spiramidum [INN-Latin] 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorophenoxy)propyl]-1-phenyl- 8-[3-(4-fluorophenoxy)propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one B6335 CAS-510-74-7 DSSTox_GSID_42579 L023992 NCGC00024633-07 R-5808 Tocris-0524 471LF4O004 AC1Q4ONW Biomol-NT_000087 Espiramida NCGC00024633-02 Spiramide [INN] UNII-471LF4O004 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(4-fluorophenoxy)propyl)-1-phenyl- 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]-decanone AMI-193 BPBio1_001259 D0V5SQ Fluroxyspiramine NCGC00024633-05 NSC_77445 SR-01000597677 BDBM86525 CAS_77445 DSSTox_RID_80051 MolPort-003-983-510 SCHEMBL2110721 Tox21_110914 510-74-7 ACM510747 BN0070 CHEMBL79834 Espiramida [INN-Spanish] NCGC00024633-03 Spiramidum ZINC1846593 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(4-fluorophenoxy)propyl]-1-phenyl- 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one API0006556 BRD-K94512704-001-02-1 DSSTox_CID_22579 GTPL175 NCGC00024633-06 R 5808 SR-01000597677-1 3824-91-7 (mono-hydrochloride salt) AC1L2981 Biomol-NT_000039 CHEBI:64207 DTXSID6042579 NCGC00024633-01 Tox21_110914_1 8-(3-(4-Fluorophenoxy)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one AKOS024458544 BPBio1_001087 CTK8F7702 FJUKDAZEABGEIH-UHFFFAOYSA-N NCGC00024633-04 [ Show all ]
Inchi Key	FJUKDAZEABGEIH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
PubChem CID	68186
ChEMBL	CHEMBL79834
IUPHAR	175
BindingDB	86525
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	977.24 nM	PMID15322733	BindingDB
Ki	1000.0 nM	PMID15322733	IUPHAR

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