Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameMK-0489
Molecular formulaC34H44ClF2N3O2
IUPAC nameN-[2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]acetamide
Molecular weight600.192
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.8
SynonymsCHEMBL1093304
SCHEMBL4230002
BDBM50314764
trans-N-(2-((R)-1''-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)-6-chloro-5-methyl-2,3-dihydrospiro[indene-1,4''-piperidine]-3-yl)propan-2-yl)acetamide
Inchi KeyKMNARKQYUZICHM-ZRRKCSAHSA-N
Inchi IDInChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
PubChem CID11753695
ChEMBLCHEMBL1093304
IUPHARN/A
BindingDB50314764
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
172820Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
172823Melanocortin receptor 3P32244Mc3rRattus norvegicus (Rat)323
172824Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
172818Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
172822Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
172825Melanocortin receptor 4P70596Mc4rRattus norvegicus (Rat)332
172819Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
172821Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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