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Ligand

NameCHEMBL427627
Molecular formulaC42H51N7O7S
IUPAC name3-[(2S,5R,14S)-14-benzyl-11-methyl-2-(2-methylpropyl)-5-(2-methylsulfanylethyl)-11-naphthalen-1-yl-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazabicyclo[15.2.1]icos-18-en-8-yl]propanamide
Molecular weight797.972
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP3.6
SynonymsBDBM50406746
Inchi KeyGDQSRKJCPHKNRU-BZLSHULBSA-N
Inchi IDInChI=1S/C42H51N7O7S/c1-25(2)23-34-39(54)45-31(20-22-57-4)36(51)44-30(17-18-35(43)50)38(53)48-42(3,29-16-10-14-27-13-8-9-15-28(27)29)41(56)47-33(24-26-11-6-5-7-12-26)37(52)46-32-19-21-49(34)40(32)55/h5-16,19,21,25,30-34H,17-18,20,22-24H2,1-4H3,(H2,43,50)(H,44,51)(H,45,54)(H,46,52)(H,47,56)(H,48,53)/t30?,31-,32?,33+,34+,42?/m1/s1
PubChem CID44264517
ChEMBLN/A
IUPHARN/A
BindingDB50406746
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
560208Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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