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	AC1NNUS7
Molecular formula	C17H24N4O3S
IUPAC name	3-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
Molecular weight	364.464
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.2
Synonyms	3-(diethylsulfamoyl)-N-[3-(1H-imidazol-1-yl)propyl]benzamide MLS000775246 AKOS034127341 Z30217398 HMS2745C17 326608-80-4 MolPort-003-995-580 ZINC6143701 3-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide MCULE-9213257589 SMR000368345 CHEMBL1423739 [ Show all ]
Inchi Key	CNKWPDOZPWWXTQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H24N4O3S/c1-3-21(4-2)25(23,24)16-8-5-7-15(13-16)17(22)19-9-6-11-20-12-10-18-14-20/h5,7-8,10,12-14H,3-4,6,9,11H2,1-2H3,(H,19,22)
PubChem CID	5102370
ChEMBL	CHEMBL1423739
IUPHAR	N/A
BindingDB	N/A
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
46123	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
46125	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
46124	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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