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

NameCHEMBL3654206
Molecular formulaC19H17F3N4O
IUPAC nameN-(diaminomethylidene)-8-(2,6-difluorophenyl)-5-fluorospiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carboxamide
Molecular weight374.367
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsUS8962612, 66
BDBM148163
SCHEMBL16518312
Inchi KeyCMKAVZVNVJNXJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17F3N4O/c20-12-2-1-3-13(21)15(12)10-4-5-14(22)16-11(10)8-26(9-19(16)6-7-19)18(27)25-17(23)24/h1-5H,6-9H2,(H4,23,24,25,27)
PubChem CID60151043
ChEMBLCHEMBL3654206
IUPHARN/A
BindingDB148163
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
454275-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357

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