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

NameCHEMBL419975
Molecular formulaC12H19N3O2
IUPAC name3-(1H-imidazol-5-yl)propyl N-(1-cyclopropylethyl)carbamate
Molecular weight237.303
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.6
SynonymsBDBM50118160
(1-Cyclopropyl-ethyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester;C2H2O4
Inchi KeyGOLKDXSFYJKZRI-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H19N3O2/c1-9(10-4-5-10)15-12(16)17-6-2-3-11-7-13-8-14-11/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
PubChem CID10933521
ChEMBLCHEMBL419975
IUPHARN/A
BindingDB50118160
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
101312Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
101314Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
101311Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445
101313Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445
101315Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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