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Ligand

NameCHEMBL138212
Molecular formulaC35H45N11O5
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)-N-[2-(1H-indol-3-yl)ethyl]pentanamide
Molecular weight699.817
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP0.1
SynonymsBDBM50136748
(S)-2-{(S)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid carbamoylmethyl-[2-(1H-indol-3-yl)-ethyl]-amide
Inchi KeyDNTXCPMOMVOUSI-DTXPUJKBSA-N
Inchi IDInChI=1S/C35H45N11O5/c1-22(47)43-30(17-25-19-39-21-42-25)33(50)45-29(16-23-8-3-2-4-9-23)32(49)44-28(12-7-14-40-35(37)38)34(51)46(20-31(36)48)15-13-24-18-41-27-11-6-5-10-26(24)27/h2-6,8-11,18-19,21,28-30,41H,7,12-17,20H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,49)(H,45,50)(H4,37,38,40)/t28-,29-,30-/m0/s1
PubChem CID44359731
ChEMBLCHEMBL138212
IUPHARN/A
BindingDB50136748
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
64653Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
64655Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
64652Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
64654Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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