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Ligand

NameSCHEMBL8371464
Molecular formulaC48H70FN17O9
IUPAC name(2S,5R,8S,11S,14S,22S)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethyl)-8-[3-(diaminomethylideneamino)propyl]-5-[(3-fluorophenyl)methyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,19,23-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-14-carboxamide
Molecular weight1048.2
Hydrogen bond acceptor13
Hydrogen bond donor15
XlogP-3.2
SynonymsBDBM160164
US9040663, 10
CHEMBL3663326
Inchi KeyAWOIGQXOOIHLJT-IQSCWYJSSA-N
Inchi IDInChI=1S/C48H70FN17O9/c1-26(67)60-33(13-6-20-57-47(52)53)41(70)63-35-15-16-39(68)56-19-5-12-32(40(51)69)61-46(75)38(24-28-25-59-31-11-3-2-10-30(28)31)66-42(71)34(14-7-21-58-48(54)55)62-45(74)37(23-27-8-4-9-29(49)22-27)65-44(73)36(17-18-50)64-43(35)72/h2-4,8-11,22,25,32-38,59H,5-7,12-21,23-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
PubChem CID88287923
ChEMBLCHEMBL3663326
IUPHARN/A
BindingDB160164
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
464881Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
517406Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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