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	MLS001007554
Molecular formula	C25H29NO2
IUPAC name	1-(1-phenylbutylamino)-3-(4-phenylphenoxy)propan-2-ol
Molecular weight	375.512
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.3
Synonyms	AC1NJ2Y0 Z68565788 1-{[1,1'-biphenyl]-4-yloxy}-3-[(1-phenylbutyl)amino]propan-2-ol HMS2696E10 AKOS034528880 MolPort-005-841-352 1-(1-phenylbutylamino)-3-(4-phenylphenoxy)-2-propanol CHEMBL1519411 852388-34-2 MCULE-3985684671 BDBM68147 SMR000384678 1-(1-phenylbutylamino)-3-(4-phenylphenoxy)propan-2-ol cid_4840816 [ Show all ]
Inchi Key	AGQLYJCLKLLNDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29NO2/c1-2-9-25(22-12-7-4-8-13-22)26-18-23(27)19-28-24-16-14-21(15-17-24)20-10-5-3-6-11-20/h3-8,10-17,23,25-27H,2,9,18-19H2,1H3
PubChem CID	4840816
ChEMBL	CHEMBL1519411
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
5119	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
463502	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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