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Ligand

NameCHEMBL2371963
Molecular formulaC54H68N10O9
IUPAC name(3S,6S,12S,20S,23S,26S)-12-[[(2S)-2-acetamidohexanoyl]amino]-23-(1H-indol-3-ylmethyl)-2,5,11,14,22,25-hexaoxo-3-[(4-phenylphenyl)methyl]-1,4,10,15,21,24-hexazatricyclo[24.3.0.06,10]nonacosane-20-carboxamide
Molecular weight1001.2
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP3.7
SynonymsAc-Nle4-cyclo(Asp5-Pro6-D-4,4''-Bip7-Pip8-Trp9-Lys10)-NH2
BDBM50211383
CHEMBL373946
Inchi KeyBHIQIMLFSJYURU-BEGKBBJWSA-N
Inchi IDInChI=1S/C54H68N10O9/c1-3-4-17-41(58-33(2)65)49(68)61-44-31-47(66)56-26-11-10-19-40(48(55)67)59-50(69)42(30-37-32-57-39-18-9-8-16-38(37)39)60-51(70)45-20-12-27-63(45)53(72)43(62-52(71)46-21-13-28-64(46)54(44)73)29-34-22-24-36(25-23-34)35-14-6-5-7-15-35/h5-9,14-16,18,22-25,32,40-46,57H,3-4,10-13,17,19-21,26-31H2,1-2H3,(H2,55,67)(H,56,66)(H,58,65)(H,59,69)(H,60,70)(H,61,68)(H,62,71)/t40-,41-,42-,43-,44-,45-,46-/m0/s1
PubChem CID73354708
ChEMBLCHEMBL2371963
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.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23784Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
23786Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
23783Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
23785Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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