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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1D
Species	Homo sapiens (Human)
Gene	HTR1D
Synonym	Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D 5-HT-1D-alpha 5-HT1D 5-HT1D receptor 5-HT1Dalpha 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled Gpcr14 HT1DA [ Show all ]
Disease	Acute migraine Epilepsy Migraine headaches Mood disorder Migraine Major depressive disorder Severe mood disorders [ Show all ]
Length	377
Amino acid sequence	MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProt	P28221
Protein Data Bank	N/A
GPCR-HGmod model	P28221
3D structure model	This predicted structure model is from GPCR-EXP P28221.
BioLiP	N/A
Therapeutic Target Database	T11072
ChEMBL	CHEMBL1983
IUPHAR	3
DrugBank	BE0000659

Ligand

Name	tryptamine
Molecular formula	C10H12N2
IUPAC name	2-(1H-indol-3-yl)ethanamine
Molecular weight	160.22
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	1.6
Synonyms	NCGC00095081-02 ALBB-017957 RTC-066345 BDBM50024210 SPECTRUM1503922 C00398 ST2409261 D08CJK F2169-0960 1H-Indole-3-ethanamine HTS028111 2-(3-Indolyl)ethylamine KBio2_000393 3-(beta-aminoethyl)-indole Lopac-246557 5-22-10-00045 (Beilstein Handbook Reference) NCGC00014994-01 ACMC-209mtp TC-066345 Tryptamine, Vetec(TM) reagent grade, 98% ACN-F000556 NCGC00095081-05 ANW-33851 SCHEMBL13006684 BP-12561 Spectrum4_000850 CHEBI:16765 T-8095 DivK1c_000862 (Amino-2 ethyl)-3 indole [French] FT-0613523 2-(1H-INDOL-3-YL)-ETHYLAMINE InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H 2-Indol-3-yl-aethylamin KBio3_002903 3-indolylethylamine M-3012 61-54-1 NCGC00014994-04 Tryptamin V2315 NCGC00014994-07 AJ-11665 PubChem9450 BBL015353 SMR000112268 BRN 0125513 SR-01000075589 CS-D1750 EC 200-510-5 005T661 HMS2267B18 2-(1H-Indol-3-yl)ethanamine # KB-81364 3-(2-amino)ethyl indole KSC354A2B 34685-69-3 (unspecified sulfate) MLS000515794 AC1L1AU8 T-8100 Tryptamine, analytical standard [2-(1h-indol-3-yl)ethyl]amine ACN-000556 NCGC00095081-03 AM807158 SBB003963 beta-(3-Indolyl)ethylamine Spectrum2_000873 CCG-40088 ST50308344 DB-005731 (3-Indolyl)ethylamine FS-3317 2-(1h-indol-3-yl) ethylamine HY-B2132 2-(3-Indolyl)ethylamine; 3-(2-Aminoethyl)indole KBio2_002961 3-Indoleethanamine Lopac0_000061 NCGC00014994-02 TRA0076983 tryptaminium ACT09907 NINDS_000862 APJYDQYYACXCRM-UHFFFAOYSA-N SCHEMBL26725 BR-80344 Spectrum5_001296 DTXSID2075340 GTPL125 2-(1H-Indol-3-Yl)Ethan-1-Amine Indol-3-ethylamine 2-indol-3-yl-ethylamine KBioGR_001459 3-[2-Aminoethyl]indole MCULE-6402431765 AB0007015 NCGC00014994-05 VI30132 NCGC00095081-01 AKOS000119468 RP22361 BCP21605 SPBio_000945 BSPBio_003400 SR-01000075589-5 CTK2F4020 EINECS 200-510-5 HMS502L04 2-(1H-indol-3-yl)ethylamine KBio1_000862 3-(2-aminoethyl)indole L000946 422ZU9N5TV MolPort-001-002-280 AC1Q54C3 T0890 Tryptamine, free base ACN-036699 NCGC00095081-04 AN-41829 SC-05762 bmse000207 Spectrum3_001890 CCRIS 8959 STK262895 DB08653 (Amino-2 ethyl)-3 indole FT-0081340 2-(1H-indol-3-yl)-ethyl-amine IDI1_000862 2-(Indol-3-yl)ethylamine KBio2_005529 3-Indoleethylamine LS-82268 5E7B376B-5933-446C-9D88-661B5F480122 NCGC00014994-03 triptamine UNII-422ZU9N5TV NCGC00014994-06 AE-848/30735051 Oprea1_870097 AZ0001-0257 SDCCGMLS-0066798.P001 BRD-K44218819-001-05-1 Spectrum_000033 CHEMBL6640 EBD10651 .beta.-(3-Indolyl)ethylamine HMS1922K18 2-(1H-Indol-3-yl)ethanamine Indole, 3-(2-aminoethyl)- 2-Indol-3-ylethylamine KBioSS_000393 343-94-2 (mono-hydrochloride) MFCD00005661 AB1001199 Tryptamine, 98% ZINC120144 [ Show all ]
Inchi Key	APJYDQYYACXCRM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
PubChem CID	1150
ChEMBL	CHEMBL6640
IUPHAR	125
BindingDB	50024210
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	0.86 -	PMID7658443	ChEMBL
Ki	23.0 nM	PMID8568822	BindingDB,ChEMBL
Ki	39.8107 - 158.489 nM	PMID1565658, PMID8967979	IUPHAR
Ki	41.7 nM	Waeber et al., PMID1988	PDSP
Ki	46.0 nM	Peroutka et al., PMID1989	PDSP
Ki	61.0 nM	PMID8568822	BindingDB,ChEMBL
Ki	85.11 nM	PMID7984267	PDSP,BindingDB
Ki	521.0 nM	PMID1565658	PDSP,BindingDB
p[A50]	6.9 -	PMID7658443	ChEMBL
Selectivity	1.7 -	PMID8568822	ChEMBL

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