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

You can:

Ligand

NameCHEMBL3613642
Molecular formulaC21H23F3N4O5S
IUPAC name2-nitro-N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)benzamide
Molecular weight500.493
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.2
SynonymsRN-9893, >=98% (HPLC)
ZINC473113885
Inchi KeyKORKKQLDGMHNKO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
PubChem CID121513880
ChEMBLCHEMBL3613642
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 38
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
4844785-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4844765-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
4844755-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4844945-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
4844985-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
4844935-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
484511Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
484490Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
484503Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
484491Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
484482Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
484499C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
484504C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
484507Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
484481Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
484486D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
484510D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
484489Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
484506Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
484509Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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