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

NameCHEMBL474302
Molecular formulaC30H25F3N2O
IUPAC nameN-[(2S)-2-anilino-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
Molecular weight486.538
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.7
Synonyms6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic acid ((S)-2-phenylamino-indan-5-yl)-amide
(S)-6-methyl-N-(2-(phenylamino)-2,3-dihydro-1H-inden-5-yl)-4''-(trifluoromethyl)biphenyl-2-carboxamide
BDBM50277296
BJLHXLVEGNRDCK-SANMLTNESA-N
SCHEMBL13591616
Inchi KeyBJLHXLVEGNRDCK-SANMLTNESA-N
Inchi IDInChI=1S/C30H25F3N2O/c1-19-6-5-9-27(28(19)20-10-13-23(14-11-20)30(31,32)33)29(36)35-25-15-12-21-16-26(18-22(21)17-25)34-24-7-3-2-4-8-24/h2-15,17,26,34H,16,18H2,1H3,(H,35,36)/t26-/m0/s1
PubChem CID44591347
ChEMBLCHEMBL474302
IUPHARN/A
BindingDB50277296
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25253Smoothened homologQ99835SMOHomo sapiens (Human)787
25254Smoothened homologP56726SmoMus musculus (Mouse)793

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