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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

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
EC50	4.67 nM	PMID9871775	ChEMBL
EC50	4.7 nM	PMID9871775	BindingDB
EC50	4.82 nM	PMID8960551	BindingDB,ChEMBL
EC50	30.0 nM	PMID2374139	BindingDB,ChEMBL
IA	1.0 -	PMID15887956	ChEMBL
IC50	5.0 nM	PMID1447752	BindingDB,ChEMBL
IC50	6.5 nM	PMID23466604	ChEMBL
IC50	12.0 nM	PMID23582449	ChEMBL
IC50	16.0 nM	PMID18588282	ChEMBL
IC50	29.0 nM	PMID18983139	ChEMBL
Intrinsic activity	1.0 %	PMID9548813	ChEMBL
Kd	3.98107 - 31.6228 nM	PMID1565658, PMID8863519	IUPHAR
Ki	0.57 nM	PMID7984267	PDSP,BindingDB
Ki	0.59 nM	PMID1315531	PDSP,BindingDB
Ki	1.0 - 39.8107 nM	PMID10431754, PMID1565658, PMID9208142, PMID9776361, PMID11040052, PMID8957260	IUPHAR
Ki	1.09 nM	PMID7984267	PDSP,BindingDB
Ki	1.1 nM	PMID18507369	PDSP
Ki	1.1 nM	PMID18507369	BindingDB,ChEMBL
Ki	3.9 nM	PMID1565658	PDSP,BindingDB
Ki	3.98 nM	PMID7984267	PDSP,BindingDB
Ki	4.0 nM	PMID8071931, PMID23466604, PMID8568822	BindingDB,ChEMBL
Ki	4.07 nM	PMID9776361	PDSP,BindingDB
Ki	4.26 nM	PMID7984267	PDSP,BindingDB
Ki	4.8 nM	PMID12519065	BindingDB,ChEMBL
Ki	5.012 nM	PMID14613313	ChEMBL
Ki	6.76 nM	PMID8960551, PMID9871775	ChEMBL
Ki	6.8 nM	PMID8960551, PMID9871775	BindingDB
Ki	7.1 nM	PMID7658447	BindingDB,ChEMBL
Ki	7.94 nM	PMID9303567	PDSP,BindingDB
Ki	9.0 nM	PMID9303569	PDSP,BindingDB
Ki	14.0 nM	PMID21726069	BindingDB,ChEMBL
Ki	15.84 nM	PMID7984267	PDSP,BindingDB
Ki	18.0 nM	PMID18983139	ChEMBL
Ki	38.0 nM	PMID9303569	PDSP,BindingDB
Simulation	219.0 %	PMID9548813	ChEMBL

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