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Ligand

NameCHEMBL190953
Molecular formulaC44H65N13O8
IUPAC name(2S)-2-acetamido-N-[2-[4-aminobutyl-[2-[[(2R)-1-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-(1H-indol-3-ylmethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
Molecular weight904.087
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-0.7
SynonymsBDBM50410239
Inchi KeyGJRWWAJUJBKGQU-QGBCWPEESA-N
Inchi IDInChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-40(62)56(21-11-10-19-45)28-39(61)54-36(22-30-13-6-5-7-14-30)42(64)55-35(18-12-20-49-44(47)48)43(65)57(27-38(60)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,58)(H,54,61)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
PubChem CID11251567
ChEMBLCHEMBL190953
IUPHARN/A
BindingDB50410239
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
98196Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
98198Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
98197Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325

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