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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Bilastine
Molecular formula	C28H37N3O3
IUPAC name	2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
Molecular weight	463.622
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.3
Synonyms	DTXSID5057678 PA1123N395 2-[4-(2-{4-[1-(2-ethoxyethyl)-1h-benzimidazol-2-yl]piperidin-1-yl}ethyl)phenyl]-2-methylpropanoic acid AC-29231 B5392 Bilastine [INN] CS-2832 HY-14447 SC-52167 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-piperidyl]ethyl]phenyl]-2-methyl-propanoic acid ACCMWZWAEFYUGZ-UHFFFAOYSA-N BENZENEACETIC ACID, 4-(2-(4-(1-(2-ETHOXYETHYL)-1H-BENZIMIDAZOL-2-YL)-1-PIPERIDINYL)ETHYL-ALPHA, ALPHA-DIMETHYL- Bilatex DSSTox_GSID_57678 NCGC00262907-01 UNII-PA1123N395 2-[4-(2-{4-[1-(2-ethoxy-ethyl)-1H-benzoimidazol-2-yl]-piperidin-1-yl}-ethyl)-phenyl]-2-methyl-propionic acid 3489AH AKOS030241723 CHEBI:135954 F-96221-BM RT-011510 2-[4-[2-[4-[1-(2-Ethoxyethyl)-1H-benzoimidazole-2-yl]piperidine-1-yl]ethyl]phenyl]-2-methylpropanoic acid AC1L4GWL BCP02576 Bilastine/Bilastinum CTK4E3581 DB11591 Ilaxten SCHEMBL991810 189B784 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid ACN-041490 Benzeneacetic acid,4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-a,a-dimethyl- Bilaxten DSSTox_RID_97352 p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)piperidino)ethyl)-alpha-methylhydratropic acid ZINC3822702 2-[4-(2-{4-[1-(2-ethoxy-ethyl)-1H-benzoimidazol-2-yl]-piperidin-1-yl}ethyl)-phenyl]-2-methyl-propionic acid ABP000785 AN-3701 Bilastine (JAN/INN) CHEMBL1742423 FT-0700542 SB17508 2-[4-[2-[4-[1-(2-Ethoxyethyl)-1H-benzo[d]imidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic Acid AC1Q5RS3 BCP9000412 Bilastinum D09570 DSSTox_CID_31467 MolPort-039-139-571 Tox21_113905 2-(4-(2-(4-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-methylpropanoic acid 202189-78-4 AK546609 Bilanoa (TN) CAS-202189-78-4 [ Show all ]
Inchi Key	ACCMWZWAEFYUGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
PubChem CID	185460
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB11591
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
547918	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487

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