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	SKF 38393
Molecular formula	C16H17NO2
IUPAC name	5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Molecular weight	255.317
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	BDBM50004923 CCG-204528 GTPL935 NCGC00015299-04 R(+)SKF38393 SK-383933 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride(SKF 38393) BRD-A88548664-001-02-3 Lopac0_000436 NCGC00024875-02 SCHEMBL469578 SKF-38,393 1H-3-Benzazepine-7,8-diol,2,3,4,5-tetrahydro-1-phenyl-, hydrochloride (1:1) 5-21-05-00258 (Beilstein Handbook Reference) API0009306 BSPBio_002384 CTK5B5738 NCG-C00093856-01 PDSP1_001524 SK&F-383933 SKF38393(hydrochloride) 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol (SK&F 38393) 6-PHENYL-4-AZOBICYCLO[5.4.0]UNDECA-7,9,11-TRIENE-9,10-DIOL Biomol-NT_000034 CHEBI:110200 KS-00001CZ8 NCGC00015299-05 R-SK&F 38393 (+/-)-SKF-38393 159795-65-0 AC1L1B1H BRD-A88548664-004-01-9 CHEMBL286080 LS-27997 NCGC00024875-03 SK&F 38393 SKF-38393 1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol BCP16347 C16H17NO2 D0OU7P NCGC00015299-03 PDSP2_001508 SK-38393 SPECTRUM1505101 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol(SKF 38393) 67287-49-4 BPBio1_001229 CHEBI:131801 L000563 NCGC00015299-06 RS(+/-)SKF 383931-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol SKF 38393-A (A+/-)-SKF-38393 hydrochloride 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl- 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine AC1Q79Q0 BRN 1543419 cid_147514 MolPort-003-666-576 NCGC00024875-04 SK&F-38393 SKF38393 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol [ Show all ]
Inchi Key	JUDKOGFHZYMDMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
PubChem CID	1242
ChEMBL	CHEMBL286080
IUPHAR	935
BindingDB	50004923
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	2500.0 nM	http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?CMD=search&DB=pubmed	PDSP

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