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

NameCHEMBL1642853
Molecular formulaC23H25ClN4O2S
IUPAC name3-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)-2H-indazol-5-amine;hydrochloride
Molecular weight456.989
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyAHEKFKPECXDSIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N4O2S.ClH/c28-30(29,22-7-3-5-17-4-1-2-6-19(17)22)23-20-14-18(8-9-21(20)26-27-23)25-15-16-10-12-24-13-11-16;/h1-9,14,16,24-25H,10-13,15H2,(H,26,27);1H
PubChem CID53324722
ChEMBLCHEMBL1642853
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
54705-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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