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Ligand

NameCHEMBL1923662
Molecular formulaC42H51N11O5
IUPAC name(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(4-phenylbutanoylamino)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight789.942
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP2.2
SynonymsBDBM50358559
SCHEMBL14811912
Inchi KeyCHNMWUKSZIMHIX-KFIZHRIMSA-N
Inchi IDInChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35+,36-/m0/s1
PubChem CID10033237
ChEMBLCHEMBL1923662
IUPHARN/A
BindingDB50358559
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42155Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
42153Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
42154Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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