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

NameDesvenlafaxine
Molecular formulaC16H25NO2
IUPAC name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
Molecular weight263.381
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
Synonyms93413-62-8
AT-19352
CHEMBL1118
Desvenlafaxine (INN)
FT-0654519
[ Show all ]
Inchi KeyKYYIDSXMWOZKMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
PubChem CID125017
ChEMBLCHEMBL1118
IUPHARN/A
BindingDB86748
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
556203Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
181575Adenosine receptor A2bQ1LZD0ADORA2BBos taurus (Bovine)332
181578Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
556206Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
181580Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
181581D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
556204D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
556205D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
181582Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
181577Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
181576Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
181583Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
181579Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
460838Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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