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Ligand

NameCHEMBL181161
Molecular formulaC37H45ClN10O5
IUPAC name(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-chlorophenyl)-2-(methylcarbamoylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight745.282
Hydrogen bond acceptor6
Hydrogen bond donor9
XlogP2.0
SynonymsBDBM50152264
(S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(3-methyl-ureido)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
Inchi KeyACTPUDHTSAXOLZ-ORYMTKCHSA-N
Inchi IDInChI=1S/C37H45ClN10O5/c1-42-37(53)48-31(19-23-13-15-25(38)16-14-23)35(52)47-30(18-22-8-3-2-4-9-22)34(51)45-28(12-7-17-43-36(40)41)33(50)46-29(32(39)49)20-24-21-44-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,44H,7,12,17-20H2,1H3,(H2,39,49)(H,45,51)(H,46,50)(H,47,52)(H4,40,41,43)(H2,42,48,53)/t28-,29-,30-,31-/m0/s1
PubChem CID44394731
ChEMBLCHEMBL181161
IUPHARN/A
BindingDB50152264
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
1899Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
1898Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
1900Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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