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

NameCHEMBL277989
Molecular formulaC13H14BrN3O2
IUPAC name3-(1H-imidazol-5-yl)propyl N-(4-bromophenyl)carbamate
Molecular weight324.178
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.1
Synonyms(4-Bromo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
BDBM50051198
N-(4-Bromophenyl)carbamic acid 3-(1H-imidazol-4-yl)propyl ester
Inchi KeyGJZMTFLOQMQOGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H14BrN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)
PubChem CID10711079
ChEMBLCHEMBL277989
IUPHARN/A
BindingDB50051198
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
98410Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
98413Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
98411Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
98412Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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