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	170230-39-4
Molecular formula	C28H30N4O4
IUPAC name	N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
Molecular weight	486.572
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.0
Synonyms	SB 216641 ZINC600564 (1,1'-Biphenyl)-4-carboxamide, N-(3-(2-(dimethylamino)ethoxy)-4-methoxyphenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)- Biomol-NT_000123 D0D9YW KS-0000005Y N-[3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide SB-216641 HCl BRD-K30867024-003-01-7 FT-0700241 N-(3-(2-(dimethylamino)ethoxy)-4-methoxyphenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide NCGC00025071-02 Tocris-1242 AKOS027338666 JRNUKVFYILMMLX-UHFFFAOYSA-N N-[3-(2-dimethylaminoethoxy)-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide PDSP1_000533 SB-216,641 ZM4360761C BPBio1_000134 DTXSID4043985 L001346 N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide SB216641HYDROCHLORIDE CAS_3292447 GTPL28 N-(3-(2-(Dimethylamino)ethoxy)-4-methoxyphenyl)-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1-biphenyl]-4-carboxamide NCGC00025071-03 UNII-ZM4360761C BDBM85166 CHEMBL20963 KB-80492 N-[3-(2-dimethylaminoethyloxy)-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide PDSP2_000531 SB-216641 [1,1'-Biphenyl]-4-carboxamide,N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)- BRD-K30867024-001-01-1 EX-A893 MolPort-044-723-487 NCGC00025071-01 SCHEMBL2360553 AC1MMVTS CHEBI:92537 J-690238 N-[3-(2-dimethylaminoethoxy)-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide NSC_3292447 [ Show all ]
Inchi Key	JRNUKVFYILMMLX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33)
PubChem CID	3292447
ChEMBL	CHEMBL20963
IUPHAR	28
BindingDB	85166
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
158202	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
158201	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
158196	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
158204	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
158197	5-hydroxytryptamine receptor 1F	P30939	HTR1F	Homo sapiens (Human)	366
158195	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
158200	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
158198	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
158203	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
158199	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479

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