Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameOsanetant
Molecular formulaC35H41Cl2N3O2
IUPAC nameN-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide
Molecular weight606.632
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP7.0
SynonymsOsanetant [INN]
[3H]osanetant
SR-142801
UNII-K7G81N94DT
160492-56-8
[ Show all ]
Inchi KeyDZOJBGLFWINFBF-UMSFTDKQSA-N
Inchi IDInChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
PubChem CID219077
ChEMBLCHEMBL346178
IUPHAR2110
BindingDB50291261
DrugBankDB04872

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 19
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4445845-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4445835-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4445875-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4445775-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
444579D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
444585Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
444581Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
444578Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
444586Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
444588Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
444580Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
444582Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
444589Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532
72878Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
72880Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
72881Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
72879Substance-K receptorP21452TACR2Homo sapiens (Human)398
72882Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
72877Substance-P receptorP25103TACR1Homo sapiens (Human)407

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