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

NameSCHEMBL5446697
Molecular formulaC22H27N5O2
IUPAC name4-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methoxymethyl]-4-phenylpiperidine
Molecular weight393.491
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
SynonymsCHEMBL3596449
CTRCKPCRPOVKKX-UHFFFAOYSA-N
4-((2-Methoxy-5-(5-methyl-1H-tetrazol-1-yl)benzyloxy)methyl)-4-phenylpiperidine
Inchi KeyCTRCKPCRPOVKKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N5O2/c1-17-24-25-26-27(17)20-8-9-21(28-2)18(14-20)15-29-16-22(10-12-23-13-11-22)19-6-4-3-5-7-19/h3-9,14,23H,10-13,15-16H2,1-2H3
PubChem CID58993640
ChEMBLCHEMBL3596449
IUPHARN/A
BindingDB50108640
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
469121Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
558828Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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