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	3-(3-phenylpyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Molecular formula	C22H27NO4
IUPAC name	3-(3-phenylpyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Molecular weight	369.461
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	cid_2894350 3-(3-phenyl-1-pyrrolidinyl)-1-(3,4,5-trimethoxyphenyl)-1-propanone;hydrochloride AKOS021996225 Oprea1_611843 3-(3-phenylpyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride CCG-18975 AC1MFH4K MolPort-002-934-527 STK038087 3-(3-Phenyl-pyrrolidin-1-yl)-1-(3,4,5-trimethoxy-phenyl)-propan-1-one BBL001030 3-(3-phenylpyrrolidino)-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride CHEMBL1616211 3-(3-phenyl-1-pyrrolidinyl)-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride AKOS001658175 Oprea1_464392 T9399 BDBM96657 [ Show all ]
Inchi Key	CBHGHNQKXANTGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27NO4/c1-25-20-13-18(14-21(26-2)22(20)27-3)19(24)10-12-23-11-9-17(15-23)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12,15H2,1-3H3
PubChem CID	2894351
ChEMBL	N/A
IUPHAR	N/A
BindingDB	96657
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
37881	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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