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	Histamine H1 receptor
Species	Homo sapiens (Human)
Gene	HRH1
Synonym	HH1R H1R Hisr H1 receptor
Disease	Vertigo's disease; Meniere's disease Ocular allergy Obesity Nausea; Vomiting Insomnia; Anxiety disorder Insomnia Hypersensitivity reactions; Coughs; Common colds Pain Parkinson's disease Perennial and seasonal allergic rhinitis; Vasomotor rhinitis; Allergic conjunctivitis Vertigo meniere's disease Unspecified Sleep disorders Seasonal and perennial allergic rhinitis and vasomotor rhinitis Rhinitis; Urticaria; Allergy Rhinitis Respiratory disease Respiratory allergies; Cancer Respiratory allergies; Allergic rhinitis Pruritus Nasal congestion Hay fever; Cough Hay fever; Allergic rhinitis Anxiety disorder Anesthesia Allergy Allergic skin disorders Allergic rhinitis; Urticaria; Pruritus Allergic rhinitis; Urticaria Allergic rhinitis Allergic disorders; Itching; Nausea Allergic conjunctivitis Anxiety disorder; Morning sickness Asthma Hay fever Common cold; Allergies Depression Dry cough [ Show all ]
Length	487
Amino acid sequence	MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProt	P35367
Protein Data Bank	3rze
GPCR-HGmod model	P35367
3D structure model	This structure is from PDB ID 3rze.
BioLiP	BL0202178, BL0202179, BL0202180
Therapeutic Target Database	T77913
ChEMBL	CHEMBL231
IUPHAR	262
DrugBank	BE0000442

Ligand

Name	23981-80-8
Molecular formula	C14H14O3
IUPAC name	2-(6-methoxynaphthalen-2-yl)propanoic acid
Molecular weight	230.263
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	(+/-)-6-METHOXY-ALPHA-METHYL-2-NAPHTHALENEACETIC A NCGC00021127-04 2-(6-Methoxy-2-naphthyl)propanoic acid, AldrichCPR Pranoxen 2-Naphthaleneacetic acid, 6-methoxy-.alpha.-methyl-, (.alpha.S)- SBB029869 6-methoxy-alpha-methyl-2-naphthalenacetic acid TC-114024 AC1Q5RT0 ANW-25279 CHEMBL12952 FT-0638374 KB-163190 MLS006011863 Naprosine (RS)-Naproxen NCGC00094733-02 2-(6-Methoxy-naphthalen-2-yl)-propionic acid Q-201030 SCHEMBL145769 6-methoxy-alpha-methyl-2-naphthylacetic acid [S(+)-2-(6-Methoxy-2-naphthyl)propionic acid] AK-40137 BPBio1_000187 CTK7A8174 HMS2230K21 LS-187192 (+)-(S)-6-Methoxy-a-methyl-2-naphthaleneacetic acid NCGC00021127-02 2-(6-methoxy-2-naphthyl)-propionic acid Oprea1_018821 2-(6-methoxynaphthalen-2-yl)propanoic acid Racemic Naproxen 6-methoxy-2-naphthyl-alpha-methylacetic acid ST24027595 AC-25684 ALBB-027257 CCG-220045 DL-Naproxen I06-0050 MCULE-6293512671 (+/-)-2-(6-methoxy-2-naphthyl) propionic acid (+/-)-6-Methoxy-alpha-methyl-2-naphthaleneacetic Acid NCGC00021127-05 2-(6-Methoxy-2-naphthyl)propionic acid Prestwick3_000045 2-Naphthaleneacetic acid, 6-methoxy-.alpha.-methyl-, (S)- SC-78606 6-methoxy-alpha-methyl-2-naphthaleneacetic acid TL8001846 ACMC-209ftj AS-47598 CMWTZPSULFXXJA-UHFFFAOYSA-N H385 KS-00000H66 Mnpa Naproxen (racemic) NCGC00094733-03 2-(6-Methoxy-naphthalen-2-yl)-propionic acid(Naproxen) rac-naproxen 26159-31-9 SMR001233475 AB0013024 AKOS000121315 BRD-A87719232-001-02-4 DB-007955 HMS3374N03 M-7686 (+)-alpha-(6-methoxy-2-naphthyl)propionic acid NCGC00021127-03 2-(6-Methoxy-2-naphthyl)propanoic acid Panoxen 2-(6-Methoxynaphthalene-2-yl)propanoic acid S(+)-6-methoxy-alpha-methyl-2-naphthaleneacetic acid) 6-methoxy-2naphthyl-alpha-methylacetic acid STK301546 AC1L1B6B alpha-(6-Methoxy-2-naphthyl)propionic acid CHEBI:91939 EINECS 245-969-2 I14-106184 MLS002154184 (+/-)-2-(6-Methoxy-2-naphthyl)propionic Acid (RS)-2-(6-methoxynaphthalen-2-yl)propanoic acid NCGC00094733-01 2-(6-methoxy-2-naphtyl)propionic acid Proxine 2-naphthaleneacetic acid, 6-methoxy-alpha-methyl- SCHEMBL10029028 6-Methoxy-alpha-methyl-2-naphthaleneessigsaure TRA0033868 ACMC-209g7l BDBM50009860 CS-W009085 HMS2095I11 KS-00001PH5 MolPort-000-889-157 Naproxen2-(6-Methoxy-naphthalen-2-yl)-propionic acid 1264273-58-6 Niaxan 2-(6-methoxynaphth-2-yl)-propionic acid racemic 2-(6-methoxy-2-naphthyl)propionic acid 4CH-007732 ST024763 AB00513799 AKOS016038194 BSPBio_000169 DL Naproxen HMS3712I11 M1220 (+)2-(6-methoxy-2-naphthyl) propionic acid [ Show all ]
Inchi Key	CMWTZPSULFXXJA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
PubChem CID	1302
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
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	<10000.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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