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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

Ligand

Name	Synephrine
Molecular formula	C9H13NO2
IUPAC name	4-[1-hydroxy-2-(methylamino)ethyl]phenol
Molecular weight	167.208
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	-0.6
Synonyms	Oxedrine (BAN) STK803113 ( inverted exclamation markA)-Synephrine Synephrin DL-SYNEPHRINE (+/-)synephrine Tox21_110390 FCH1116446 1-(4-Hydroxyphenyl)-(N-methylethanol)amine ZX-AN024253 HMS3264E11 4-Hydroxy-a-(methylaminomethyl)benzyl alcohol K712 p-Hydroxy-.alpha.-[(methylamino)methyl]benzylalcohol 7336264B-EDC9-42C5-939B-FF800AB5BB4A LS-43031 p-[(Methylamino)ethanol]phenol AK141733 NCGC00015924-03 Prestwick0_001088 AX8011379 NCGC00016351-01 S0232 benzenemethanol, 4-hydroxy-alpha-[(methylamino)methyl]-, 2,3-dihydroxybutanedioate (1:1) (salt) NSC-166285 Simpatol BSPBio_001136 CAS-94-07-5 Sympaethamine CS0043 (+)-[(methylamino)methyl]-Benzenemethano Synephrine - Oxedrine DSSTox_RID_78850 (?)-Synephrine Tox21_501085 HMS1571I18 1-(4-Hydroxyphenyl)-2-methylaminoethanol HMS3656O09 4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol l-Synephrine p-Hydroxyphenyl(methylamino)ethanol AB0014348 MLS000069435 Parasympatol ALBB-025740 NCGC00015924-06 Prestwick3_001088 Benzenemethanol, 4-hydroxy-.alpha.-[(methylamino)methyl]- NCGC00089788-04 SBB063601 BENZYL ALCOHOL, p-HYDROXY-alpha-((METHYLAMINO)METHYL)-, (+)- NSC166285 SR-01000002983 SR-01000002983-8 CCG-205162 Synefrin (+/-)-Synephrine Synthenate Ethaphene .beta.-Methylamino-.alpha.-(4-hydroxyphenyl)ethyl alcohol WLN: QR DYQ1M1 HMS2233F20 4-(1-Hydroxy-2-(methylamino)ethyl)phenol I01-8196 p-((Methylamino)ethanol)phenol LS-43028 p-Oxedrine AC1L1O67 N1706 Pentedrin [German] Analeptin NCGC00015924-12 S 0752 Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (-)- NSC 166285 SCHEMBL146500 BP-12742 Oxedrine Oxedrine [BAN] SW197214-5 CHEMBL33720 ( inverted question mark)-Synephrine DSSTox_CID_10588 (.+/-.)-N-Methyloctopamine Tox21_110390_1 FT-0618685 1-(4-hydroxyphenyl)-2-(methylamino)ethan-1-ol [(Methylamino)methyl][(4-hydroxyphenyl)carbinol] HMS3369C13 4-Hydroxy-alpha-((methylamino)methyl)benzenemethanol KS-5152 p-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol 94-07-5 MCULE-4991429316 Parakorper AKOS004119915 NCGC00015924-04 Prestwick1_001088 BBL015111 NCGC00089788-02 s2362 Benzyl alcohol, p-hydroxy-.alpha.-[(methylamino)methyl]- NSC-170956 SMR000059111 C-33457 CC-34623 Sympathol CTK2F4574 (+,-)-Synephrine Synephrine, analytical standard DTXSID0030588 (RS)-1-(4-Hydroxyphenyl)-2-(methylamino)ethanol TR-038493 HMS2052G09 1-(4-Hydroxyphenyl)-N-methylethanolamine HMS3715I18 Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine, 34520 4-[1-Hydroxy-2-(methylamino)ethyl]phenol Lopac0_001085 p-Hydroxyphenylmethylaminoethanol AB00384265_11 MLS001424216 PDSP1_000167 alpha-(4-Oxyphenyl)alpha-oxy-beta-methylaminoaethan NCGC00015924-08 Q-100668 Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)- NCGC00258515-01 SBI-0051055.P002 BENZYL ALCOHOL, p-HYDROXY-alpha-((METHYLAMINO)METHYL)-, (-)- NSC170956 SR-01000002983-3 Oxedrine ((-)-) ST095769 CHEBI:29081 Synefrin [Czech] DB09203 (+/-)-Synephrine, >=98% T5534 EU-0101085 1-(4-Hydroxyphenyl)-(2-methylamino)ethanol YRCWQPVGYLYSOX-UHFFFAOYSA-N HMS3263I12 4-Hydroxy-.alpha.-((methylamino)methyl)benzenemethanol I06-0007 p-Hydroxy-.alpha.-[(methylamino)methyl]benzyl alcohol 582-84-3 LS-43029 p-Synephrine AC1Q412W NC00348 Pharmakon1600-01506085 API0024621 NCGC00015924-13 S 38537-9 Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (S)- NSC 170956 Simpalon BPBio1_001250 Oxedrine [INN:BAN] Sympaethamin CPD000059111 ((Methylamino)methyl)((4-hydroxyphenyl)carbinol) Synephrine (Oxedrine) DSSTox_GSID_30588 (.+/-.)-Synephrine Tox21_200962 FT-0653012 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol HMS3394G09 4-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol l-Sympatol p-Hydroxy-alpha-[(methylamino)methyl]benzyl alcohol 94S075 Methylaminomethyl(4-hydroxyphenyl)carbinol Parakorper [German] AKOS016038542 NCGC00015924-05 Prestwick2_001088 BDBM50102660 NCGC00089788-03 SAM001246896 BENZYL ALCOHOL, p-HYDROXY-alpha-((METHYLAMINO)METHYL)- NSC-759316 SPBio_003028 C04548 CCG-101098 Sympatol D07148 (+-)-N-Methyloctopamine Synephrine,(S) EINECS 202-300-9 (y)-Synephrine W-100214 HMS2098I18 1-[4-Hydroxyphenyl]-2-methylaminoethanol I01-2279 Oxedrine\|\|\|4-Hydroxy-a-[(methylamino)methyl]-benzenemethanol 4-[1-Hydroxy-2-(methylamino)ethyl]phenol # LP01085 p-Methylaminoethanolphenol AB00514040 MolPort-000-787-358 PDSP2_000166 alpha-(4-Oxyphenyl)alpha-oxy-beta-methylaminoaethan [German] NCGC00015924-09 RP23020 Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)- (9CI) NCGC00261770-01 SC-46736 beta-Methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol NSC759316 SR-01000002983-7 [ Show all ]
Inchi Key	YRCWQPVGYLYSOX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
PubChem CID	7172
ChEMBL	CHEMBL33720
IUPHAR	N/A
BindingDB	50102660
DrugBank	DB09203
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	63000.0 nM	J. Nat. Prod., (1997) 60:11:1196	ChEMBL

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