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	G-protein coupled receptor 35
Species	Mus musculus (Mouse)
Gene	Gpr35
Synonym	G-protein coupled receptor 3 GPR35 KYNA receptor Kynurenic acid receptor
Disease	N/A for non-human GPCRs
Length	307
Amino acid sequence	MNSTTCNSTLTWPASVNNFFIIYSALLLVLGLLLNSVALWVFCYRMHQWTETRIYMTNLAVADLCLLCSLPFVLYSLKYSSSDTPVCQLSQGIYLANRYMSISLVTAIAVDRYVAVRHPLRARELRSPRQAAAVCVALWVIVVTSLVVRWRLGMQEGGFCFSSQTRRNFSTTAFSLLGFYLPLAIVVFCSLQVVTVLSRRPAADVGQAEATQKATHMVWANLAVFVICFLPLHVVLTVQVSLNLNTCAARDTFSRALSITGKLSDTNCCLDAICYYYMAREFQEASKPATSSNTPHKSQDSQILSLT
UniProt	Q9ES90
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	CHEMBL2390813
IUPHAR	102
DrugBank	N/A

Ligand

Name	CROMOLYN SODIUM
Molecular formula	C23H14Na2O11
IUPAC name	disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
Molecular weight	512.334
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	None
Synonyms	SPECTRUM1500210 Sodium Chromoglycate Disodium 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-4H-1-benzopyran-2-carboxylate) disodium cromoglycate(2-) 16110-51-3 (Cromolyn) Epitope ID:122681 5,5'-((2-Hydroxytrimethylene)dioxy)bis(4-oxo-4H-1-benzopyran-2-carboxylic acid) disodium salt Gastrocrom (TN) AB0013247 HMS2091I06 AKOS016339565 Intal CAS-15826-37-6 Lomuda Cromo asma aerosol Nalcrom NCGC00017083-03 CTK8F0841 Opticrom Sodium cromoglicate [JAN] Tox21_110863_1 RTR-006665 disodium 5-[3-(2-carboxylato-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylate DSSTox_CID_24554 16636-EP2316459A1 FPL.670 5-[3-(2-carboxy-4-oxochromen-5-yloxy)-2-hydroxypropoxy]-4-oxochromene-2-carbox ylic acid, sodium salt, sodium salt Gynazole AC1L1DCY HMS502K19 B3300 J10281 CHEBI:128458 Lomusol Cromoglycate disodium Natrii cromoglicas Cromolyn sodium [USAN:USP] NCGC00094633-01 Dinatrium cromoglicicum Sodium Cromoylycate Vicrom SCHEMBL7500 disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylate 105878-73-7 DTXSID7044554 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-, disodium salt FT-0602030 Aarane HMS1920A18 AKOS015895760 I14-45144 C23H14Na2O11 KS-5299 Chromolyn sodium MFCD00057744 Cromolyn (sodium) NCGC00017083-01 Cromoptic Nebulasma dipotassium cromoglycate(2-) ST50999688 sodium cromoglicate disodium 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate) disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate 16636-EP2281563A1 FPL 670 5,5'-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid) Gastrofrenal AB2000369 HMS2097D05 AN-8075 Intal nebulizer CCG-40261 Lomudal Cromoglicinsaeure, dinatriumsalz Nasalcrom Cromolyn sodium (USP) NCGC00021142-02 D00526 Prestwick_996 Sodium cromoglycate Tox21_302003 Rynacrom disodium 5-[3-(2-carboxylato-4-oxo-chromen-5-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate 1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropane DSSTox_GSID_44554 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-, disodium salt Frenasma 87016-01-1 H769 ACMC-20eni6 HY-B0320A BCP12933 K-4967 LS-39176 Cromoglycate,Cromoglycic acid Natrium cromoglicat Cromolyn sodium [USAN] NCGC00094633-02 Dinatrium salz von 1,3-bis-(2-carboxychromon-5-yloxy)-2-hydroxypropan Sodium salt of 5-[3-(2-carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylic acid sodium 5,5'-(2-hydroxypropane-1,3-diyl)bis(oxy)bis(4-oxo-4H-chromene-2-carboxylate) Disodium 5,5'-((2-hydroxytrimethylene)bis(oxy))bis(4-oxo-4H-1-benzopyran-2-carboxylate) Disodium cromoglycate 15826-37-6 EINECS 239-926-7 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-,disodium salt Gastrocrom Aararre HMS2089N09 AKOS015913923 Inostral (Anti-asthmatic) C23H14O11.2Na KSC950Q4D Crolom MolPort-002-509-361 Cromolyn disodium salt NCGC00017083-02 CS-2361 NSC 109500 Sodium cromoglicate (JP17) Tox21_110863 Disodium 5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-4H-1-benzopyran-2-carboxylate] DSCG 16636-EP2314298A1 FPL-670 5,5'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis(4-oxo-4H-1-benzopyran-2-carboxylic Acid) Disodium Salt GP8420 AC-18734 HMS3714D05 API0002134 J-009487 CCRIS 3194 Lomudas Cromoglycate Nasmil Cromolyn sodium salt NCGC00022858-08 D01IGI Q2WXR1I0PK Sodium cromolyn UNII-Q2WXR1I0PK s1911 disodium 5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate 1,3-Di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol DSSTox_RID_80311 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-, disodium salt) FT-0082168 93356-84-4 HMS1570D05 AK163517 I06-1500 Bicromat Spray KS-00000FYJ CHEMBL74 MCULE-8432777058 Cromoglycic acid Natrium cromoglicat [German] Cromolynsodium NCGC00255950-01 Dinatrium salz von 1,3-bis-(2-carboxychromon-5-yloxy)-2-hydroxypropan [German] [ Show all ]
Inchi Key	VLARUOGDXDTHEH-UHFFFAOYSA-L
Inchi ID	InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2
PubChem CID	27503
ChEMBL	CHEMBL74
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	4840.0 nM	PMID23713606	ChEMBL
Emax	102.0 %	PMID23713606	ChEMBL

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