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

NameCHEMBL370261
Molecular formulaC46H67N11O5
IUPAC nameN-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]tetradecanamide
Molecular weight854.114
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP6.2
SynonymsBDBM50166132
Tetradecanoic acid [(S)-1-((R)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-amide
Inchi KeyDPZNJGKLXUVILJ-YOEXWAKESA-N
Inchi IDInChI=1S/C46H67N11O5/c1-2-3-4-5-6-7-8-9-10-11-15-24-41(58)54-40(28-34-30-50-31-53-34)45(62)57-39(26-32-19-13-12-14-20-32)44(61)55-37(23-18-25-51-46(48)49)43(60)56-38(42(47)59)27-33-29-52-36-22-17-16-21-35(33)36/h12-14,16-17,19-22,29-31,37-40,52H,2-11,15,18,23-28H2,1H3,(H2,47,59)(H,50,53)(H,54,58)(H,55,61)(H,56,60)(H,57,62)(H4,48,49,51)/t37-,38-,39+,40-/m0/s1
PubChem CID11239907
ChEMBLCHEMBL370261
IUPHARN/A
BindingDB50166132
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66077Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
66079Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
66076Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
66078Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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