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

NameCHEMBL568577
Molecular formulaC30H36ClN9O4
IUPAC name(2R)-2-[[(2R)-2-[[(2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight622.127
Hydrogen bond acceptor6
Hydrogen bond donor7
XlogP1.2
SynonymsBDBM50301134
(S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide
Inchi KeyCVVWWYJPDWRAEB-FULHUOFVSA-N
Inchi IDInChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-10+/t23-,24-,25+/m1/s1
PubChem CID45487414
ChEMBLCHEMBL568577
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51830Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
51829Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
51828Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
51831Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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