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GLASS

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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	5-METHOXYTRYPTAMINE
Molecular formula	C11H14N2O
IUPAC name	2-(5-methoxy-1H-indol-3-yl)ethanamine
Molecular weight	190.246
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	0.5
Synonyms	SC-12097 CS-W015885 EN300-75859 2-(5-Methoxy-1H-indol-3-yl)ethanamine HMS2267B16 4CH-018103 KBio2_000673 5-METHOXYINDOLE-3-ETHANAMINE L000647 608-07-1 MCULE-6141263456 AC1L1CCC MFCD00005662 AM804127 NCGC00015694-04 Biomol-NT_000156 O-Methylserotonin CB06924 ZERO/005525 Spectrum2_001111 TL806386 CHEBI:2089 SMR000112269 DB-053709 F0266-0466 2-(5-Methoxy-1H-indol-3-yl)ethylamine IND055 5-MeOT KBioGR_001124 5-Methoxytryptamine, 97% LS-82282 A8462 Melatonin Related Compound A ACMC-209mm8 MolPort-000-004-525 ANW-33582 NCGC00162256-02 BRD-K30197592-001-01-5 PubChem1928 Spectrum_000193 Tryptamine, 5-methoxy- SAM001246909 CM-025 DTXSID60209638 2-(5-METHOXY-1H-INDOL-3-YL)-ETHYLAMINE HMS1607I12 3-(2-Aminoethyl)-5-methoxyindole JTEJPPKMYBDEMY-UHFFFAOYSA-N 5-methoxy-3-(2-aminoethyl)indole KS-000048KA 5-MT M0131 AB1005675 Mexamine AKOS000265074 NCGC00015694-02 BBL010667 NSC-56422 C05659 WLN: T56 BMJ D2Z GO1 SMSF0037571 STK386888 SC-18330 CTK2F3000 Ethanamine,2-(5-methoxy-3-indolyl)- 2-(5-Methoxy-1H-indol-3-yl)ethanamine # HMS3394G13 5 Methoxytryptamine KBio2_003241 Lopac-M-6628 Meksamin AC1Q4F1U MLS000515795 AN-41877 NCGC00015694-05 bmse000626 O-Methylserotonin, purum, >=98.0% (NT) CBMicro_004933 ZINC57163 Spectrum4_000602 TRA0100740 DEACETYLMELATONIN 1H-Indole-3-ethanamine, 5-methoxy- FT-0620577 2-(5-Methoxyindol-3-yl)ethylamine INDOLE, 3-(2-AMINOETHYL)-5-METHOXY- 5-Methoxy tryptamine KBioSS_000673 5-Methoxytryptamine, free base LS20673 AB0008526 Melatonin Related Compound A, United States Pharmacopeia (USP) Reference Standard ACT02753 NC00364 ARONIS27067 NCGC00162256-03 BRD-K30197592-003-02-9 RP17857 ST078854 TS-02682 SBB002534 CPD000112269 EINECS 210-153-7 2-(5-Methoxy-1H-Indol-3-Yl)Ethan-1-Amine HMS2052G13 3VMW6141KC KB-197912 5-methoxy-tryptamine KSC353A0B 5MOT M14131 AC-15796 Mexamine base ALBB-004965 NCGC00015694-03 BDBM82087 NSC56422 CAS_66-83-1 Z1698584701 SPBio_001242 TC-071750 SCHEMBL41982 D04AQE 08M071 EU-0033500 2-(5-Methoxy-1H-indol-3-yl)ethanamine (5-Methoxytryptamine) I05-0057 5-22-12-00018 (Beilstein Handbook Reference) KBio2_005809 5-Methoxytryptamine (5-MT) Lopac0_000789 A3347/0142106 Meksamin (free base) AC1Q56M4 MLS001424170 AN-46395 NCGC00162256-01 BPBio1_000530 Oprea1_086738 CCG-15123 Spectrum5_001300 tryptamine, 5-Methoxy CHEMBL8165 DS-1776 1H-Indole-3-ethanamine, 5-methoxy- (9CI) GTPL107 2901782C-4651-419E-81A0-8179F6F3AA3E J10473 5-methoxy-1H-indole-3-ethanamine KS-00000NGV 5-Mot M-2402 AB00463 Methoxytryptamine AJ-09618 NCGC00015694-01 BB 0253965 NSC 56422 BRN 0145587 RTC-071750 ST2403990 UNII-3VMW6141KC [ Show all ]
Inchi Key	JTEJPPKMYBDEMY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
PubChem CID	1833
ChEMBL	CHEMBL8165
IUPHAR	107
BindingDB	82087
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	0.75 nM	PMID7984267, PMID1315531	PDSP,BindingDB
Ki	3.5 nM	PMID8568822	BindingDB,ChEMBL
Ki	4.8 nM	PMID1565658	PDSP,BindingDB
Ki	31.6228 - 50.1187 nM	PMID1565658, PMID8863519	IUPHAR
Ki	33.88 nM	PMID7984267	PDSP,BindingDB
Ki	35.0 nM	PMID9303569	PDSP,BindingDB
Ki	38.0 nM	PMID9303569	PDSP,BindingDB

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