Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	serotonin
Molecular formula	C10H12N2O
IUPAC name	3-(2-aminoethyl)-1H-indol-5-ol
Molecular weight	176.219
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	0.2
Synonyms	Lopac0_000607 AC1Q54C0 NCGC00015525-05 AX8011985 NCGC00142449-04 Biomol-NT_000083 Prestwick3_000481 C00780 STK503758 cMAP_000059 UNII-333DO1RDJY Enteramin HMS1362H13 3-(2-Aminoethyl)-1H-indol-5-ol # KB-177045 5-Hta KBio3_000844 5-Hydroxytriptamine MolPort-001-779-633 ALBB-006183 NCGC00015525-08 Bio1_000450 PDSP1_001512 BPBio1_001079 CCG-204696 Thrombocytin DB-051820 FT-0631212 1H-Indol-5-ol,3-(2-aminoethyl)- HMS3403H13 3-(beta-Aminoethyl)-5-hydroxyindole KBio2_003020 5-Hydroxy-3-(b-aminoethyl)indole KBioGR_002472 5-Hydroxytryptamine, free base 6F7FD5B4-A558-45F0-A20A-2D068A3EFE6A NCGC00015525-03 Antemovis NCGC00142449-02 Bio2_000396 Prestwick1_000481 BSPBio_001112 SMP1_000272 TR-018115 DTXSID8075330 Hippophain 3-(2-Amino-ethyl)-1H-indol-5-ol Indol-5-ol, 3-(2-aminoethyl)- 5-22-12-00016 (Beilstein Handbook Reference) KBio2_007608 5-hydroxyl tryptamine L000078 LS-83647 AJ-09556 NCGC00015525-06 BCBcMAP01_000198 NCGC00142449-05 bmse000757 QZAYGJVTTNCVMB-UHFFFAOYSA-N CAS-153-98-0 Substance DS CTK4J2994 ZINC57058 Enteramine 14C-5-hydroxy tryptamine creatinine disulfate HMS1792H13 3-(2-Aminoethyl)indol-5-ol KBio2_000452 5-hydroxy tryptamine creatinine disulfate KBio3_002950 5-HYDROXYTRYPTAMINE 50-67-9 NCGC00015525-01 AN-41571 NCGC00015525-09 Bio1_000939 PDSP2_001496 BRN 0143524 Serotonin, analytical standard CH-132 Thrombocytin, 3-(\|A-Aminoethyl)-5-hydroxyindole, Thrombotonin GTPL5 2-imino-1-methylimidazolidin-4-one; 3-(2-aminoethyl)-1H-indol-5-ol; bis(sulfuric acid) I14-1899 333DO1RDJY KBio2_005040 5-Hydroxy-3-(beta-aminoethyl)indole KBioSS_000452 AC1L1JTO NCGC00015525-04 API0006544 NCGC00142449-03 Bio2_000876 Prestwick2_000481 C-06146 SPBio_002262 CHEMBL39 Tryptamine, 5-hydroxy- EINECS 200-058-9 Hippophaine 3-(2-Aminoethyl)-1H-indol-5-ol K-9367 5-HT KBio3_000843 5-Hydroxyltryptamine Lopac-H-9523 MCULE-8788459983 AKOS001484724 NCGC00015525-07 BDBM10755 Oprea1_712368 BPBio1_000377 SCHEMBL1495 CC-21879 Substanz DS D0F6CD FCH832159 1H-Indol-5-ol, 3-(2-aminoethyl)- HMS1990H13 3-(b-Aminoethyl)-5-hydroxyindole KBio2_002472 5-Hydroxy-3-(.beta.-aminoethyl)indole KBioGR_000452 5-Hydroxytryptamine, 5-HT, Enteramine 6996AB NCGC00015525-02 Antemoqua NCGC00142449-01 Bio1_001428 Prestwick0_000481 BSPBio_000341 Serotonine CHEBI:28790 Thrombotonin Ds substance H-8000 3-(.beta.-Aminoethyl)-5-hydroxyindole IDI1_002151 KBio2_005588 5-hydroxy-tryptamine KBioSS_002479 [ Show all ]
Inchi Key	QZAYGJVTTNCVMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PubChem CID	5202
ChEMBL	CHEMBL39
IUPHAR	5
BindingDB	10755
DrugBank	DB08839
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	99.6 %	PMID23675993	ChEMBL
Activity	99.7 %	PMID27487565	ChEMBL
Activity	100.0 %	PMID20363635	ChEMBL
EC50	0.5 nM	PMID16392798	BindingDB
EC50	0.5 nM	PMID16392798	ChEMBL
EC50	0.7 nM	PMID16458504	ChEMBL
EC50	0.7 nM	PMID16458504	BindingDB
EC50	1.0 nM	PMID16392798	BindingDB,ChEMBL
EC50	3.0 nM	PMID25308766	ChEMBL
EC50	3.0 nM	PMID25308766	BindingDB
EC50	3.7 nM	PMID12954071	BindingDB,ChEMBL
EC50	3.75 nM	PMID23332346	ChEMBL
EC50	3.8 nM	PMID23332346	BindingDB
EC50	8.71 nM	PMID14613313	ChEMBL
EC50	10.0 nM	PMID1447752	BindingDB,ChEMBL
EC50	15.0 nM	PMID27487565	BindingDB
EC50	15.33 nM	PMID27487565	ChEMBL
EC50	27.54 nM	PMID26081758	ChEMBL
EC50	28.0 nM	PMID26081758	BindingDB
EC50	39.0 nM	PMID23675993	ChEMBL
EC50	43.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:20:2391	BindingDB,ChEMBL
EC50	147.0 nM	PMID20041669	BindingDB,ChEMBL
EC50	150.0 nM	PMID19559623	BindingDB,ChEMBL
EC50	169.82 nM	PMID26081758	ChEMBL
EC50	170.0 nM	PMID26081758	BindingDB
EC50	229.09 nM	PMID17803293	ChEMBL
Emax	100.0 %	PMID20041669, PMID23332346	ChEMBL
Emax	224.0 -	PMID14613313	ChEMBL
FC	6.4 -	PMID26081758	ChEMBL
IA	1.0 -	PMID15887956	ChEMBL
IC50	1.2 nM	PMID12954071	BindingDB,ChEMBL
IC50	2.0 nM	PMID2918500	BindingDB,ChEMBL
IC50	5.2 nM	PMID1447752	BindingDB,ChEMBL
IC50	5.6 nM	PMID2918500	BindingDB,ChEMBL
IC50	6.0 nM	PMID2918500	BindingDB,ChEMBL
Inhibition	100.0 %	PMID23332346	ChEMBL
Intrinsic activity	1.0 -	PMID18433113, PMID14613313	ChEMBL
Ki	0.199526 - 0.794328 nM	PMID1386736, PMID9760039, PMID10431754, PMID9550290, PMID9205951, PMID15628665	IUPHAR
Ki	0.26 nM	PMID7984267	PDSP,BindingDB
Ki	0.62 nM	PMID22748706	BindingDB,ChEMBL
Ki	0.72 nM	PMID7855217	PDSP
Ki	0.79 nM	PMID7984267	PDSP,BindingDB
Ki	0.9 nM	PMID23332346	ChEMBL
Ki	0.9 nM	PMID23332346	BindingDB
Ki	1.2 nM	PMID27543433, PMID12954071	PDSP,BindingDB
Ki	1.25 nM	PMID7984267	PDSP,BindingDB
Ki	1.259 nM	PMID18433113	ChEMBL
Ki	1.3 nM	PMID18433113, PMID9686407	PDSP,BindingDB
Ki	1.68 nM	Hoyer et al., PMID1986	PDSP
Ki	1.7 nM	PMID8071931	BindingDB,ChEMBL
Ki	1.75 nM	Hoyer et al., PMID1986	PDSP
Ki	2.08 nM	PMID25128671	ChEMBL
Ki	2.1 nM	PMID25128671	BindingDB
Ki	2.48 nM	PMID8960551, PMID9871775	BindingDB,ChEMBL
Ki	2.5 nM	PMID7658447, PMID9871775	BindingDB,ChEMBL
Ki	2.8 nM	PMID2918500	BindingDB,ChEMBL
Ki	3.0 nM	PMID25048712, PMID2918500	BindingDB,ChEMBL
Ki	3.98 nM	PMID7984267, PMID8461029	PDSP,BindingDB
Ki	3.981 nM	PMID14613313	ChEMBL
Ki	9.5 nM	PMID24161678	ChEMBL
Ki	10.0 nM	PMID22738316	BindingDB
Ki	10.0 nM	PMID23488743	BindingDB
Ki	12.58 nM	PMID7984267	PDSP,BindingDB
Ki	>50.0 nM	PMID20363635	ChEMBL
Ki	102.3 nM	PMID8461029	PDSP,BindingDB
Ki	102.32 nM	PMID7984267	PDSP,BindingDB
Ki	166.0 nM	PMID8155646	PDSP
Ki	10000.0 nM	PMID18433113	BindingDB,ChEMBL
Max	100.0 %	PMID10514291, PMID10425105	ChEMBL
pD2	7.3 -	PMID18817363, PMID10425105, PMID23252794, PMID10514291	ChEMBL
pKD	8.5 -	PMID8515429	ChEMBL
Stimulation	126.0 %	PMID14613313	ChEMBL

zhanglab

zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417