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	MLS001033995
Molecular formula	C24H22Cl2N2O
IUPAC name	2-[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol
Molecular weight	425.353
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	5.4
Synonyms	BDBM68163 KUC104277N cid_3947745 KSC-8-69-100629 KUC104277N-02 2-[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenyl-ethanol HMS2710O20 SMR000385827 AC1N11UX KSC-8-69-110428 CHEMBL1438983 KUC104277N-2 2-[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol KSC-8-69 [ Show all ]
Inchi Key	DHVLQBMFWWTSRF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22Cl2N2O/c25-17-10-11-18(22(26)12-17)20(21-14-28-23-9-5-4-8-19(21)23)13-27-15-24(29)16-6-2-1-3-7-16/h1-12,14,20,24,27-29H,13,15H2
PubChem CID	3947745
ChEMBL	CHEMBL1438983
IUPHAR	N/A
BindingDB	68163
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
60408	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
60407	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
60406	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418

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