Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

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

GLASS

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 1D
Species	Sus scrofa (Pig)
Gene	HTR1D
Synonym	5-HT-1D 5-HT1D Serotonin receptor 1D
Disease	N/A for non-human GPCRs
Length	291
Amino acid sequence	AMTDLLVSILVMPISIPYTITQTWSFGQLLCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAIVWAISICISIPPLFWRQARAHEEISDCLVNTSQISYTIYSTCGAFYIPSLLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNPSLHEGHSHSAGSPLFFNHVKIKLADSVLERKRISAARERKATKTLGIILGAFIICWLPFFVASLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKVV
UniProt	P79400
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4105
IUPHAR	N/A
DrugBank	N/A

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	cMAP_000071 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol dl-propranolol 13013-17-7 EN300-40731 HMS2090L21 AB00053537_11 INDERIDE-40/25 ALBB-023324 KBio2_007651 Avlocardyl (Salt/Mix) Kemi S Berkolol MolPort-001-794-623 Bio1_000856 C16H21NO2 .beta.-Propranolol Proprasylyt SCHEMBL12264958 Spectrum3_000883 T7896 NCGC00015798-09 Obzidan Pranolol Propanolol [INN-Spanish] Propranolol [INN:BAN] 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol D,L-Propranolol 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol Dociton (Salt/Mix) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- F0001-3681 525-66-6 IDI1_000023 AC1L1JA4 Intermigran Anaprilin KBio3_002993 AY-20694 Lopac0_000896 Beta-Timelets NCGC00015798-06 BRD-A10070317-003-06-9 (.+/-.)-Propranolol CCG-103643 PROPRANOLOL,(-) racemic-Propranolol SPBio_001361 Spectrum4_001222 NINDS_000023 PDSP1_001607 Prestwick2_000952 Propranalol 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol DB00571 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol EINECS 208-378-0 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- GTPL564 AB00053537 Inderal hydrochloride AKOS000588816 KBio2_002515 ARONIS27011 KBioGR_002515 BDBM25761 MCULE-7804628650 Betalong BSPBio_002682 (S)-(-)-PROPRANOLOL Propranololum Sawatal Spectrum2_001301 STK735510 NCGC00015798-07 Obsidan PDSP2_001591 Propanix Propranolol (TN) Corpendol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol DL-Propranolol hydrochloride 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- etalong 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol HMS3428G03 AB00053537_12 INDERIDE-80/25 AN-18866 KBio3_001766 AY 20694 KS-00002WT3 beta-Propranolol NCGC00015798-04 Bio1_001345 (+-)-Propranolol Caridolol 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol R,S-Propranolol Hydrochloride SCHEMBL3955 Spectrum3_001071 W-109550 NCGC00024690-02 Oprea1_304193 Prestwick0_000952 PROPANOLOL(-) PROPRANOLOL, d 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane D08443 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol DTXSID6023525 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) FE-0204 525P666 Inderal AC1Q1QBV KB-123971 Anapriline KBioGR_001347 b-Propranolol LS-122410 Betachron BRD-A10070317-003-17-6 (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol CCRIS 3082 propranololo Reducor SPBio_001658 Spectrum5_000751 NSC 91523 (Salt/Mix) PDSP1_001608 Prestwick3_000952 CHEMBL27 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol DivK1c_000023 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol EINECS 235-867-6 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- hemangiol AB00053537-10 Inderex AKOS016050338 KBio2_005083 Avlocardyl KBioSS_002523 Bedranol Migrastat Bio1_000367 C07407 Propranololum [INN-Latin] SBI-0050871.P003 Spectrum2_001699 Sumial NCGC00015798-08 Obsidan (Salt/Mix) PDSP2_001592 Propanolol Propranolol Hcl Intensol CTK8I6896 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol Dociton 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) Euprovasin 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol ICI 45520 (Salt/Mix) AB0108847 Inderol AN-45556 KBio3_001902 AY 64043 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 CBDivE_006180 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol PROPRANOLOL,(+) Racemic propranolol Servanolol Spectrum4_000974 [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine NCGC00024690-03 PDSP1_000767 Prestwick1_000952 Propanolol,(+/-) 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Efektolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- FT-0700657 Inderal (Salt/Mix) AC1Q1QC0 KBio1_000023 AQHHHDLHHXJYJD-UHFFFAOYSA-N KBioGR_001684 BBL023437 LS-184129 Betadren BSPBio_000944 (A+/-)-Propranolol hydrochloride CHEBI:8499 Propranololo [DCIT] Reducor line SPBio_003093 ST024757 NSC91523 PDSP2_000755 Propanalol Propranolol (INN) [ 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	<10000.0 nM	Waeber et al., PMID1988	PDSP
Ki	4070.0 nM	Schlicker et al., PMID1989	PDSP
Ki	6920.0 nM	Waeber et al., PMID1988	PDSP

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