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	(1-Ethyl-1H-benzoimidazol-2-yl)-phenyl-methanol
Molecular formula	C16H16N2O
IUPAC name	(1-ethylbenzimidazol-2-yl)-phenylmethanol
Molecular weight	252.317
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.6
Synonyms	ST50004021 (1-ethylbenzimidazol-2-yl)phenylmethan-1-ol BIM-0023859.P001 HMS2494M21 AC1ME8Y5 CCG-10358 MLS000107190 SCHEMBL10823939 alpha-(1-Ethyl-1H-benzoimidazole-2-yl)benzyl alcohol CHEMBL1452931 STL356867 3785-64-6 Cambridge id 5535582 MCULE-7147369079 AKOS000673723 CDS1_004125 MolPort-000-307-737 SMR000111562 (1-ethylbenzimidazol-2-yl)-phenylmethanol BAS 00631702 DivK1c_005165 UPCMLD0ENAT5457526:001 AB00087830-01 CBMicro_023709 MixCom6_000733 Oprea1_425541 (1-ethyl-1H-benzimidazol-2-yl)(phenyl)methanol AKOS016117720 [ Show all ]
Inchi Key	ACHLTXLLMBIWDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16N2O/c1-2-18-14-11-7-6-10-13(14)17-16(18)15(19)12-8-4-3-5-9-12/h3-11,15,19H,2H2,1H3
PubChem CID	2850705
ChEMBL	CHEMBL1452931
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
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
1579	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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