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	Mazapertine
Molecular formula	C26H35N3O2
IUPAC name	piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
Molecular weight	421.585
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.4
Synonyms	134208-17-6 DTXSID40158594 SCHEMBL636631 AC1Q5K4U Mazapertine [INN] {3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone (3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)phenyl)(piperidin-1-yl)methanone CHEMBL10085 Piperidino[3-[[4-(2-isopropoxyphenyl)piperazino]methyl]phenyl] ketone L001470 UNII-N0X1XW704P BDBM50029257 N0X1XW704P 1-[3-[[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]methyl]benzoyl]piperidine D01WJZ RWJ-377796 AC1L1TZN ZKZFPRUSWCYSGT-UHFFFAOYSA-N piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone [ Show all ]
Inchi Key	ZKZFPRUSWCYSGT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
PubChem CID	60820
ChEMBL	CHEMBL10085
IUPHAR	N/A
BindingDB	50029257
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
431101	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
431106	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
431100	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
431111	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
431105	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
431112	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
431099	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
431102	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
431109	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
431104	D(1B) dopamine receptor	P25115	Drd5	Rattus norvegicus (Rat)	475
431108	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
431110	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
431103	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446
431107	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400

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