Zhang Lab

National University of Singapore

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 ●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	Rec 15/3079
Molecular formula	C26H34N4O4
IUPAC name	N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide
Molecular weight	466.582
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.8
Synonyms	BDBM85833 N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide 1-[N-(2-nitrophenyl)-N-cyclohexylcarbonyl-2-aminoethyl]-4-(2-methoxyphenyl) piperazine HVMKWKIPLGPYAR-UHFFFAOYSA-N N-(2-(4-(2-methoxyphenyl)-1-piperazinyl) ethyl)-N-(2-nitrophenyl)cyclohexanecarboxamide REC-3079 D04HXS PDSP1_000972 220382-87-6 L001620 Rec-15-3079 N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide SCHEMBL989581 GTPL74 PDSP2_000956 5 HT1A antagonist, Recordati LS-56584 REC-15/3079 [ Show all ]
Inchi Key	HVMKWKIPLGPYAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
PubChem CID	9847377
ChEMBL	N/A
IUPHAR	74
BindingDB	85833
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
125088	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
553917	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
555975	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
125086	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
125085	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
125084	Alpha-2C adrenergic receptor	P22086	Adra2c	Rattus norvegicus (Rat)	458
555974	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417