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Ligand

NameCHEMBL439281
Molecular formulaC39H47N7O6S
IUPAC name(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-[(1-methylsulfonylpiperidin-4-yl)amino]-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight741.908
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP2.9
SynonymsN/A
Inchi KeyABISVCMKGAFRBO-WNWUTZSISA-N
Inchi IDInChI=1S/C39H47N7O6S/c1-53(51,52)46-18-16-29(17-19-46)42-35-23-36(47)44-34(22-28-24-40-32-15-9-8-14-31(28)32)39(50)45-33(21-27-12-6-3-7-13-27)38(49)43-30(25-41-37(35)48)20-26-10-4-2-5-11-26/h2-15,24,29-30,33-35,40,42H,16-23,25H2,1H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,33+,34+,35-/m1/s1
PubChem CID44421488
ChEMBLCHEMBL439281
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
889Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
890Substance-K receptorP21452TACR2Homo sapiens (Human)398

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