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

NameSCHEMBL4318956
Molecular formulaC19H16N2O2S
IUPAC name[1-(3-thiophen-2-ylphenyl)ethylideneamino] N-phenylcarbamate
Molecular weight336.409
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsN/A
Inchi KeyCQUWKHKELQQYRI-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
PubChem CID75033243
ChEMBLN/A
IUPHARN/A
BindingDB50323040
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 39
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
484825-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
484625-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
484875-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4596545-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
484735-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
484685-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
48463Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
48477Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
459653Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
48472B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
48478Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
459656Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
48469C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
48492C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
48491Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473
48481Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347
48471Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
48479D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
48466D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
48480Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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