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Ligand

NameCHEMBL224277
Molecular formulaC53H73N15O11
IUPAC name2-[(3S,6S,9R,12S,16S,24S)-16-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-24-carbamoyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,18-hexaoxo-1,4,7,10,13,19-hexazacyclotetracos-15-yl]acetic acid
Molecular weight1096.26
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-0.5
SynonymsBDBM50158406
Inchi KeyBOKVGYPHNIKRLQ-DEHKQVQUSA-N
Inchi IDInChI=1S/C53H73N15O11/c1-3-4-16-38(62-30(2)69)48(75)65-40-26-44(70)58-20-11-10-18-37(46(54)73)63-51(78)42(23-32-27-60-36-17-9-8-15-34(32)36)68-49(76)39(19-12-21-59-53(55)56)64-50(77)41(22-31-13-6-5-7-14-31)67-52(79)43(24-33-28-57-29-61-33)66-47(74)35(40)25-45(71)72/h5-9,13-15,17,27-29,35,37-43,60H,3-4,10-12,16,18-26H2,1-2H3,(H2,54,73)(H,57,61)(H,58,70)(H,62,69)(H,63,78)(H,64,77)(H,65,75)(H,66,74)(H,67,79)(H,68,76)(H,71,72)(H4,55,56,59)/t35?,37-,38-,39-,40-,41+,42-,43-/m0/s1
PubChem CID44421514
ChEMBLN/A
IUPHARN/A
BindingDB50158406
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28884Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
28883Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
28885Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
28882Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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