Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL445669
Molecular formulaC41H51N3O4
IUPAC namemethyl 4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-[4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanoyl]amino]methyl]benzoate
Molecular weight649.876
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP7.7
SynonymsBDBM50217791
methyl 4-((4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamido)methyl)benzoate
Inchi KeyALEPAKIZRXGWQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H51N3O4/c1-48-41(47)32-17-9-31(10-18-32)27-44(34-21-13-29(14-22-34)25-28-11-19-33(42)20-12-28)40(46)8-4-6-37-36-5-2-3-7-38(36)43-39(37)26-30-15-23-35(45)24-16-30/h2-3,5,7,9-10,15-18,23-24,28-29,33-34,43,45H,4,6,8,11-14,19-22,25-27,42H2,1H3
PubChem CID44434698
ChEMBLCHEMBL445669
IUPHARN/A
BindingDB50217791
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8174Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
8175Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
8177Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
8176Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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