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

NameCHEMBL378019
Molecular formulaC31H37F4N5O
IUPAC name1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]urea
Molecular weight571.665
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50184920
N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N''-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[2-[4-(2-methylpropyl)-1-piperazinyl]ethyl]urea
SCHEMBL14102140
Inchi KeyLMVPVMRVMHDAFR-YQKLYGQBSA-N
Inchi IDInChI=1S/C31H37F4N5O/c1-21(2)20-39-12-10-38(11-13-39)14-15-40(29(41)37-24-6-7-27(32)25(17-24)31(33,34)35)28-8-9-30(18-26(28)30)23-5-3-4-22(16-23)19-36/h3-7,16-17,21,26,28H,8-15,18,20H2,1-2H3,(H,37,41)/t26-,28-,30-/m1/s1
PubChem CID10239907
ChEMBLCHEMBL378019
IUPHARN/A
BindingDB50184920
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
191324Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
191325Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353

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