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

NameCHEMBL378972
Molecular formulaC32H33F2N3O
IUPAC name3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide
Molecular weight513.633
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50186820
3-[4-(3''-cyano-biphenyl-4-yl)-1-cyclopentyl-piperidin-4-yl]-N-(3,5-difluoro-phenyl)-propionamide
Inchi KeyFJLGKUVQHVCSRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H33F2N3O/c33-27-19-28(34)21-29(20-27)36-31(38)12-13-32(14-16-37(17-15-32)30-6-1-2-7-30)26-10-8-24(9-11-26)25-5-3-4-23(18-25)22-35/h3-5,8-11,18-21,30H,1-2,6-7,12-17H2,(H,36,38)
PubChem CID20608977
ChEMBLCHEMBL378972
IUPHARN/A
BindingDB50186820
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
79850Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
79849Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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