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

You can:

Ligand

NameCHEMBL3719005
Molecular formulaC20H14F3N3O2
IUPAC nameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide
Molecular weight385.346
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL15528848
Inchi KeyAYJGMYMIIVLLRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H14F3N3O2/c21-20(22,23)14-4-3-5-15(12-14)25-19(28)16-6-1-2-7-17(16)26-18(27)13-8-10-24-11-9-13/h1-12H,(H,25,28)(H,26,27)
PubChem CID52764307
ChEMBLCHEMBL3719005
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522000Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
522001Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
522002Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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