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 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

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
	N/A	N/A	DrugBank
Activity	<75.0 %	None	ChEMBL
Activity	100.0 %	PMID27487565	ChEMBL
Activity	100.4 %	PMID23675993	ChEMBL
EC50	1.5 nM	PMID23602445	ChEMBL
EC50	1.549 nM	PMID23602445	ChEMBL
EC50	1.88 nM	PMID25633969	ChEMBL
EC50	1.9 nM	PMID25633969	BindingDB
EC50	2.57 nM	PMID23301527	ChEMBL
EC50	2.6 nM	PMID23301527	BindingDB,ChEMBL
EC50	5.8 nM	PMID19284718	BindingDB,ChEMBL
EC50	7.6 nM	PMID22778800	BindingDB,ChEMBL
EC50	11.0 nM	PMID16257207, PMID15081042	BindingDB,ChEMBL
EC50	16.0 nM	PMID23675993	ChEMBL
EC50	18.62 nM	None	ChEMBL
EC50	47.0 nM	PMID27487565	BindingDB,ChEMBL
EC50	70.0 nM	PMID18035544	BindingDB,ChEMBL
EC50	125.89 nM	PMID18095642	ChEMBL
EC50	147.91 nM	PMID23301527	ChEMBL
EC50	150.0 nM	PMID23301527	BindingDB,ChEMBL
EC50	302.0 nM	PMID25583099	BindingDB,ChEMBL
Efficacy	98.0 %	PMID16257207	ChEMBL
Emax	100.0 %	PMID25633969, PMID18035544, PMID19284718	ChEMBL
Kd	1.25893 nM	PMID8534270	IUPHAR
Ki	3.98107 - 1000.0 nM	PMID15322733, PMID8534270, PMID12954071, PMID2233697, PMID8114677, PMID8663249	IUPHAR
Ki	7.77 nM	PMID8632342	PDSP,BindingDB
Ki	8.2 nM	PMID12954071	BindingDB
Ki	8.2 nM	PMID16392816, PMID12954071	PDSP,BindingDB,ChEMBL
Ki	12.02 nM	PMID7984267	PDSP,BindingDB
Ki	14.0 nM	PMID10611640, PMID16257207, PMID15081042	PDSP,BindingDB,ChEMBL
Ki	16.2181 nM	PMID15322733	PDSP
Ki	16.22 nM	PMID15322733	BindingDB
Ki	21.0 nM	PMID14709324	PDSP,BindingDB
Ki	30.9 nM	PMID10498829	BindingDB
Ki	30.903 nM	PMID10498829	PDSP
Ki	63.09 nM	PMID7582481	PDSP,BindingDB
Ki	120.0 nM	PMID18468904	BindingDB,ChEMBL
Ki	130.0 nM	PMID18468904	BindingDB,ChEMBL
Ki	150.0 nM	PMID18468904	BindingDB,ChEMBL
Ki	160.0 nM	PMID18468904	BindingDB,ChEMBL
Ki	174.0 nM	Hoyer et al., PMID1987	PDSP
Ki	199.52 nM	PMID7582481	PDSP
Ki	218.77 nM	PMID9225287	PDSP,BindingDB
Ki	320.0 nM	PMID23301527, PMID11975483	BindingDB,ChEMBL
Ki	323.59 nM	PMID23301527	ChEMBL
Ki	341.0 nM	PMID10611640	PDSP,BindingDB
Ki	398.11 nM	PMID14613313	ChEMBL
Ki	510.0 nM	PMID8071931	BindingDB,ChEMBL
Ki	602.55 nM	PMID7984267	PDSP,BindingDB
Ki	690.0 nM	PMID17067154	BindingDB,ChEMBL
Ki	3170.75 nM	Andorn et al., PMID1984	PDSP
Ki	4396.0 nM	Elliot & Kent, PMID1989	PDSP
Relative efficacy	98.0 %	PMID15081042	ChEMBL

zhanglab

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