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Ligand

NameCHEMBL3600835
Molecular formulaC55H73N15O9
IUPAC name(3S,6S,9R,12S,15S,23S)-15-[[(2R)-2-acetamidohexanoyl]amino]-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-13-methyl-9-(naphthalen-2-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide
Molecular weight1088.29
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP1.5
SynonymsBDBM50112892
Inchi KeyBBJOQSQVKOIBHK-PIHYJXJMSA-N
Inchi IDInChI=1S/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)69-45-28-47(72)60-22-11-10-18-40(48(56)73)65-52(77)44(26-36-29-62-39-17-9-8-15-38(36)39)67-50(75)42(19-12-23-61-55(57)58)66-51(76)43(25-33-20-21-34-13-6-7-14-35(34)24-33)68-53(78)46(70(3)54(45)79)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,77)(H,66,76)(H,67,75)(H,68,78)(H,69,74)(H4,57,58,61)/t40-,41+,42-,43+,44-,45-,46-/m0/s1
PubChem CID122184574
ChEMBLCHEMBL3600835
IUPHARN/A
BindingDB50112892
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
465270Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
465271Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
465272Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
465269Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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