Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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

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