Zhang Lab

University of Michigan

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 ●DMFold ●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	SMR000111657
Molecular formula	C17H18N2O
IUPAC name	phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
Molecular weight	266.344
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	(1-Isopropyl-1H-benzoimidazol-2-yl)-phenyl-methanol AKOS022048765 HMS2476H16 162891-16-9 MolPort-002-116-376 AC1ME9Y5 cid_2851813 phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol (1-isopropylbenzimidazol-2-yl)-phenyl-methanol BDBM48980 MCULE-5177122336 STL298161 CHEMBL1363951 Oprea1_801736 AKOS001515379 HMS1518O07 phenyl[1-(propan-2-yl)-1H-benzimidazol-2-yl]methanol 1-Isopropyl-2-(alpha-hydroxybenzyl)-1H-benzimidazole CCG-146474 MLS000107285 AB00088583-01 ChemDiv3_016155 phenyl-(1-propan-2-yl-2-benzimidazolyl)methanol [ Show all ]
Inchi Key	CCGMKVCKAXTOGX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h3-12,16,20H,1-2H3
PubChem CID	2851813
ChEMBL	CHEMBL1363951
IUPHAR	N/A
BindingDB	48980
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
38538	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477
38539	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218