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

NameSNAP-7915
Molecular formulaC25H28F3N3O3
IUPAC name(4S,5S)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
Molecular weight475.512
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.0
Synonyms(4S,5S)-4-(3,4-Difluorophenyl)-N-[3-[4-(4-fluorophenyl)-1-piperidinyl]propyl]-5-methyl-2-oxo-3-oxazolidine carboxamide
SCHEMBL7658901
BDBM50090647
(4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxazolidine-3-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
D0D8GV
[ Show all ]
Inchi KeyDTYAFBJXWWLRMA-QMHKHESXSA-N
Inchi IDInChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
PubChem CID9830741
ChEMBLCHEMBL96467
IUPHARN/A
BindingDB50090647
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
687815-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
687895-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
687935-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
687915-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
68784Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
68787Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
68786Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
68795Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
68785Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
68788Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
68790Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
68782Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
68792Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
68783Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
68794Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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