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Ligand

NameCHEMBL2371968
Molecular formulaC59H76N10O9
IUPAC name(1S,4S,11S,14S,17S,25S)-25-[[(2S)-2-acetamidohexanoyl]amino]-14-(1H-indol-3-ylmethyl)-2,5,12,15,23,26-hexaoxo-4-[(4-phenylphenyl)methyl]-3,6,13,16,22,27-hexazatetracyclo[25.7.0.06,11.028,33]tetratriacontane-17-carboxamide
Molecular weight1069.32
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP5.4
SynonymsBDBM50211397
CHEMBL227709
Ac-Nle4-cyclo(Asp5-Oic6-D-4,4''-Bip7-Pro8-Trp9-Lys10)-NH2
Inchi KeyBMAPOAMSOKHHLD-ZNLSIPTCSA-N
Inchi IDInChI=1S/C59H76N10O9/c1-3-4-20-45(63-36(2)70)54(73)66-48-34-52(71)61-29-14-12-22-44(53(60)72)64-55(74)46(32-41-35-62-43-21-10-9-19-42(41)43)65-56(75)50-24-13-15-30-68(50)58(77)47(31-37-25-27-39(28-26-37)38-16-6-5-7-17-38)67-57(76)51-33-40-18-8-11-23-49(40)69(51)59(48)78/h5-7,9-10,16-17,19,21,25-28,35,40,44-51,62H,3-4,8,11-15,18,20,22-24,29-34H2,1-2H3,(H2,60,72)(H,61,71)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)/t40?,44-,45-,46-,47-,48-,49?,50-,51-/m0/s1
PubChem CID73345617
ChEMBLCHEMBL2371968
IUPHARN/A
BindingDBN/A
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27255Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
27256Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
27257Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
27258Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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