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

NameCHEMBL605971
Molecular formulaC22H22N4O2S
IUPAC name(3R)-1-(2-methyl-3-naphthalen-1-ylsulfonylindazol-5-yl)pyrrolidin-3-amine
Molecular weight406.504
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsSCHEMBL12622501
(3R)-1-[2-Methyl-3-(naphthalen-1-ylsulfonyl)-2H-indazol-5-yl]pyrrolidin-3-amine
BDBM50308172
Inchi KeyAUNJSZUSKBJRIJ-MRXNPFEDSA-N
Inchi IDInChI=1S/C22H22N4O2S/c1-25-22(29(27,28)21-8-4-6-15-5-2-3-7-18(15)21)19-13-17(9-10-20(19)24-25)26-12-11-16(23)14-26/h2-10,13,16H,11-12,14,23H2,1H3/t16-/m1/s1
PubChem CID45378934
ChEMBLCHEMBL605971
IUPHARN/A
BindingDB50308172
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
148055-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
148045-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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