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Ligand

NameCHEMBL2372365
Molecular formulaC52H67N13O9S2
IUPAC name(4S,7R,10S,13S,16S,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-10-(3-aminopropyl)-13-benzyl-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1082.31
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP0.6
Synonyms1N-(1-carbamoyl-2-hydroxypropyl)-6-(1-amino-2-phenylethylcarboxamido)-15-(3-aminopropyl)-12-benzyl-9-(1H-5-imidazolylmethyl)-18-(1H-3-indolylmethyl)-5,5-dimethyl-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosane-1-carboxamide
BDBM50141021
CHEMBL268361
Inchi KeyMWKMCIFWZIUKLZ-GQVYTNTCSA-N
Inchi IDInChI=1S/C52H67N13O9S2/c1-29(66)42(44(55)67)64-50(73)41-27-75-76-52(2,3)43(65-45(68)35(54)21-30-13-6-4-7-14-30)51(74)62-40(24-33-26-56-28-58-33)49(72)60-38(22-31-15-8-5-9-16-31)47(70)59-37(19-12-20-53)46(69)61-39(48(71)63-41)23-32-25-57-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,57,66H,12,19-24,27,53-54H2,1-3H3,(H2,55,67)(H,56,58)(H,59,70)(H,60,72)(H,61,69)(H,62,74)(H,63,71)(H,64,73)(H,65,68)/t29-,35-,37+,38+,39-,40+,41-,42+,43-/m1/s1
PubChem CID73345669
ChEMBLCHEMBL2372365
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
215932Melanocortin receptor 3P32244Mc3rRattus norvegicus (Rat)323
215933Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
215931Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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