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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	zafirlukast
Molecular formula	C31H33N3O6S
IUPAC name	cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
Molecular weight	575.68
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.5
Synonyms	Accolate (TN) MolPort-003-850-873 AN-7458 NCGC00164547-05 BG0649 s1633 CAS-107753-78-6 SR-01000759386-5 CS-2167 UNII-XZ629S5L50 cyclopentyl N-[3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methylindol-5-yl]carbamate 107753-78-6 D05DVP 32256-EP2292619A1 GP6218 32256-EP2311827A1 HY-17492 AB0012638 LS-50025 Z1551429730 Zafirlukast, >=98% (HPLC) MFCD00864775 Accoleit NC00275 AstraZeneca brand of zafirlukast Olmoran BRD-K71289571-001-06-4 SC-45160 CCG-101025 STK646780 Cyclopentyl (3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methyl-1H-indol-5-yl)carbamate cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate 32256-EP2281813A1 DSSTox_CID_3746 32256-EP2301933A1 HMS2089J10 4-(5-cyclopentyloxycarbonylamino-2-methylindol-3-yl-methyl)-3-methoxy-N-O-tolylsulfonylbenzamide ICI 204219 AB00639922_09 Zafirlukast (Accolate) ZINC896717 AC1L1KZB MLS001424064 Aeronix NCGC00164547-03 BDBM50009073 Respix C31H33N3O6S SR-01000759386 CHEMBL603 Tox21_112176_1 cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate cyclopentyl [3-(2-methoxy-4-{[(2-methylphenyl)sulfonyl]carbamoyl}benzyl)-1-methyl-1H-indol-5-yl]carbamate 32256-EP2284166A1 DTXSID5023746 32256-EP2308562A2 HMS3655E13 753Z786 KS-00001D9L XZ629S5L50 Zafirlukast [USAN:INN:BAN] Accolate, Accoleit, Vanticon, Zafirlukast N-[3-[[2-methoxy-4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]phenyl]methyl]-1-methyl-5-indolyl]carbamic acid cyclopentyl ester ANW-46530 NCGC00164547-06 BIDD:GT0267 SAM001246577 CC-35662 SR-01000759386-9 CTK4A5698 Vanticon cyclopentyl N-[3-[[2-methoxy-4-(o-tolylsulfonylcarbamoyl)phenyl]methyl]-1-methyl-indol-5-yl]carbamate 32256-EP2270008A1 32256-EP2295409A1 GTPL3322 I06-0398 AB00639922-06 MCULE-2053856450 Zafirlucast Zafirst MLS000759421 Accoleit (TN) NCGC00164547-01 BC201090 PubChem18223 C-23263 SCHEMBL4175 CHEBI:10100 SW197655-3 Cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate Cyclopentyl N-[3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamate 32256-EP2281815A1 DSSTox_GSID_23746 32256-EP2305640A2 HMS3393F12 4CH-018070 ICI-204,219 AB2000178 Zafirlukast (JAN/USAN/INN) Accolate MLS006011771 AKOS005577888 NCGC00164547-04 BG0591 RTR-001857 Carbamic acid, (3-((2-methoxy-4-((((2-methylphenyl)sulfonyl)amino)carbonyl)phenyl)methyl)-1-methyl-1H-indol-5-yl)-, cyclopentyl ester SR-01000759386-4 CPD000466316 TR-001857 cyclopentyl N-[3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methyl-1H-indol-5-yl]carbamate D00411 32256-EP2292617A1 FT-0601575 32256-EP2311818A1 HMS3713J08 A801752 L001011 YEEZWCHGZNKEEK-UHFFFAOYSA-N Zafirlukast(Accolate) Menarini brand of zafirlukast Accolate;Accoleit;Vanticon N-[3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamic Acid Cyclopentyl Ester AS-12943 Novartis brand of zafirlukast BR-72849 SB19079 cc-92 ST2406760 cyclopentyl (1-methyl-3-{[2-(methyloxy)-4-({[(2-methylphenyl)sulfonyl]amino}carbonyl)phenyl]methyl}-1H-indol-5-yl)carbamate cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-indol-5-yl]carbamate 32256-EP2280006A1 DB00549 32256-EP2298415A1 HMS2051F12 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide ICI 204,219 AB00639922-08 Zeneca brand of zafirkulast MLS000759421-02 ACMC-209wlw NCGC00164547-02 BCP05226 Q-201940 C07206 SMR000466316 Tox21_112176 cyclopentyl 3-(2-methoxy-4-(o-tolylsulfonylcarbamoyl)benzyl)-1-methyl-1H-indol-5-ylcarbamate cyclopentyl N-{3-[(2-methoxy-4-{[(2-methylbenzene)sulfonyl]carbamoyl}phenyl)methyl]-1-methyl-1H-indol-5-yl}carbamate 32256-EP2281819A1 DSSTox_RID_77181 32256-EP2305659A1 HMS3650A04 ICI-204219 AC-9018 Vanticon (TN) Zafirlukast [USAN:BAN:INN] [ Show all ]
Inchi Key	YEEZWCHGZNKEEK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
PubChem CID	5717
ChEMBL	CHEMBL603
IUPHAR	3322
BindingDB	50009073
DrugBank	DB00549
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:13:1377	BindingDB,ChEMBL

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