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

NameCHEMBL208573
Molecular formulaC29H22F4N4O
IUPAC name3-[4-[(1-acetylpiperidin-4-ylidene)-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzonitrile
Molecular weight518.516
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50186844
4''-[(1-acetyl-piperidin-4-ylidene)-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-methyl]-biphenyl-3-carbonitrile
Inchi KeyDQRDAEGIDASIQJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H22F4N4O/c1-17(38)37-11-9-21(10-12-37)27(20-7-5-19(6-8-20)22-4-2-3-18(13-22)16-34)28-35-25-14-23(29(31,32)33)24(30)15-26(25)36-28/h2-8,13-15H,9-12H2,1H3,(H,35,36)
PubChem CID44413299
ChEMBLCHEMBL208573
IUPHARN/A
BindingDB50186844
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66559Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
66561Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
66560Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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