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GLASS

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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	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	B6335 CAS-510-74-7 DSSTox_GSID_42579 L023992 NCGC00024633-07 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 Biomol-NT_000087 Espiramida NCGC00024633-02 R-5808 Tocris-0524 471LF4O004 AC1Q4ONW BPBio1_001259 D0V5SQ Fluroxyspiramine NCGC00024633-05 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 BDBM86525 CAS_77445 DSSTox_RID_80051 MolPort-003-983-510 NSC_77445 SR-01000597677 BN0070 CHEMBL79834 Espiramida [INN-Spanish] NCGC00024633-03 SCHEMBL2110721 Tox21_110914 510-74-7 ACM510747 API0006556 BRD-K94512704-001-02-1 DSSTox_CID_22579 GTPL175 NCGC00024633-06 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 Biomol-NT_000039 CHEBI:64207 DTXSID6042579 NCGC00024633-01 R 5808 SR-01000597677-1 3824-91-7 (mono-hydrochloride salt) AC1L2981 BPBio1_001087 CTK8F7702 FJUKDAZEABGEIH-UHFFFAOYSA-N NCGC00024633-04 Tox21_110914_1 8-(3-(4-Fluorophenoxy)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one AKOS024458544 [ 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	50.0 nM	PMID8355253	BindingDB,ChEMBL

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