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	CHEMBL325104
Molecular formula	C18H20N2
IUPAC name	1-benzyl-4-(2-ethynylpyrrol-1-yl)piperidine
Molecular weight	264.372
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	2.9
Synonyms	D07UUQ 1-Benzyl-4-(2-ethynyl-pyrrol-1-yl)-piperidine 1-Benzyl-4-(2-ethynyl-1H-pyrrole-1-yl)piperidine BDBM50082164
Inchi Key	CNGQSMFIQRDDKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2/c1-2-17-9-6-12-20(17)18-10-13-19(14-11-18)15-16-7-4-3-5-8-16/h1,3-9,12,18H,10-11,13-15H2
PubChem CID	15508240
ChEMBL	CHEMBL325104
IUPHAR	N/A
BindingDB	50082164
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
46016	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
46017	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
46019	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
46018	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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