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

NameCilansetron
Molecular formulaC20H21N3O
IUPAC name(12R)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one
Molecular weight319.408
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.6
SynonymsCalmactin
DB04885
GTPL2297
2J6DQ1U5B5
D03495
[ Show all ]
Inchi KeyNCNFDKWULDWJDS-OAHLLOKOSA-N
Inchi IDInChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
PubChem CID6918107
ChEMBLCHEMBL2103778
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 22
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2199675-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2199805-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
2199685-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
2199775-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
2199735-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
2199655-hydroxytryptamine receptor 5BP35365Htr5bRattus norvegicus (Rat)370
219976Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
219960Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
219962D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
219963D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
219981D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
219969Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
219970Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
219966Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
219974Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
219979Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
219961Leukotriene B4 receptor 1Q9R0Q2Ltb4rRattus norvegicus (Rat)351
219971Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
219972Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
219978Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417