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Ligand

NameCHEMBL105113
Molecular formulaC34H43N11O6
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight701.789
Hydrogen bond acceptor8
Hydrogen bond donor10
XlogP-0.4
SynonymsAc-His-DTyr-Arg-Trp-NH2
2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
BDBM50115366
Inchi KeyFGCBZBMPOFJXID-FKWFRFQNSA-N
Inchi IDInChI=1S/C34H43N11O6/c1-19(46)42-29(15-22-17-38-18-41-22)33(51)45-28(13-20-8-10-23(47)11-9-20)32(50)43-26(7-4-12-39-34(36)37)31(49)44-27(30(35)48)14-21-16-40-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,40,47H,4,7,12-15H2,1H3,(H2,35,48)(H,38,41)(H,42,46)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
PubChem CID11039787
ChEMBLCHEMBL105113
IUPHARN/A
BindingDB50115366
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

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
77648Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
77647Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
77649Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
77650Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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