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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	propranolol
Molecular formula	C16H21NO2
IUPAC name	1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	FT-0700657 Propranololum [INN-Latin] Inderal (Salt/Mix) AC1Q1QC0 SBI-0050871.P003 KBio1_000023 AQHHHDLHHXJYJD-UHFFFAOYSA-N Spectrum2_001699 KBioGR_001684 BBL023437 Sumial LS-184129 Betadren NCGC00015798-08 BSPBio_000944 (A+/-)-Propranolol hydrochloride Obsidan (Salt/Mix) CHEBI:8499 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol PDSP2_001592 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Propanolol Efektolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- Propranolol Hcl Intensol PROPRANOLOL,(+) HMS2090L21 AB00053537_11 Racemic propranolol INDERIDE-40/25 ALBB-023324 Servanolol KBio2_007651 Avlocardyl (Salt/Mix) Spectrum4_000974 Kemi S Berkolol [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine MolPort-001-794-623 Bio1_000856 NCGC00024690-03 C16H21NO2 .beta.-Propranolol PDSP1_000767 cMAP_000071 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol Prestwick1_000952 dl-propranolol 13013-17-7 Propanolol,(+/-) EN300-40731 525-66-6 Propranololo [DCIT] IDI1_000023 AC1L1JA4 Reducor line Intermigran Anaprilin SPBio_003093 KBio3_002993 AY-20694 ST024757 Lopac0_000896 Beta-Timelets NCGC00015798-06 BRD-A10070317-003-06-9 (.+/-.)-Propranolol NSC91523 CCG-103643 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol PDSP2_000755 D,L-Propranolol 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol Propanalol Dociton (Salt/Mix) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- Propranolol (INN) F0001-3681 GTPL564 AB00053537 Proprasylyt Inderal hydrochloride AKOS000588816 SCHEMBL12264958 KBio2_002515 ARONIS27011 Spectrum3_000883 KBioGR_002515 BDBM25761 T7896 MCULE-7804628650 Betalong NCGC00015798-09 BSPBio_002682 (S)-(-)-PROPRANOLOL Obzidan 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol Pranolol DB00571 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol Propanolol [INN-Spanish] EINECS 208-378-0 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- Propranolol [INN:BAN] PROPRANOLOL,(-) HMS3428G03 AB00053537_12 racemic-Propranolol INDERIDE-80/25 AN-18866 SPBio_001361 KBio3_001766 AY 20694 Spectrum4_001222 KS-00002WT3 beta-Propranolol NCGC00015798-04 Bio1_001345 (+-)-Propranolol NINDS_000023 Caridolol 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol PDSP1_001607 Corpendol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol Prestwick2_000952 DL-Propranolol hydrochloride 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- Propranalol etalong 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol 525P666 Propranololum Inderal AC1Q1QBV Sawatal KB-123971 Anapriline Spectrum2_001301 KBioGR_001347 b-Propranolol STK735510 LS-122410 Betachron NCGC00015798-07 BRD-A10070317-003-17-6 (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol Obsidan CCRIS 3082 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane PDSP2_001591 D08443 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol Propanix DTXSID6023525 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) Propranolol (TN) FE-0204 hemangiol AB00053537-10 R,S-Propranolol Hydrochloride Inderex AKOS016050338 SCHEMBL3955 KBio2_005083 Avlocardyl Spectrum3_001071 KBioSS_002523 Bedranol W-109550 Migrastat Bio1_000367 NCGC00024690-02 C07407 Oprea1_304193 CHEMBL27 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol Prestwick0_000952 DivK1c_000023 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol PROPANOLOL(-) EINECS 235-867-6 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- PROPRANOLOL, d 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol propranololo ICI 45520 (Salt/Mix) AB0108847 Reducor Inderol AN-45556 SPBio_001658 KBio3_001902 AY 64043 Spectrum5_000751 L000679 Beta-Tablinen NCGC00015798-05 BPBio1_001040 (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material NSC 91523 (Salt/Mix) CBDivE_006180 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol PDSP1_001608 CTK8I6896 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol Prestwick3_000952 Dociton 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) Euprovasin [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
PubChem CID	4946
ChEMBL	CHEMBL27
IUPHAR	564
BindingDB	25761
DrugBank	DB00571
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3700.0 nM	Peroutka et al., PMID1989	PDSP
Ki	5500.0 nM	Waeber et al., PMID1988	PDSP

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