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Ligand

NameCHEMBL224427
Molecular formulaC40H48N8O5
IUPAC nameN-[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-2-(4-methylpiperazin-1-yl)acetamide
Molecular weight720.875
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.6
SynonymsN/A
Inchi KeyCWKSTWGKPGMEST-WNWUTZSISA-N
Inchi IDInChI=1S/C40H48N8O5/c1-47-16-18-48(19-17-47)26-37(50)45-35-23-36(49)44-34(22-29-24-41-32-15-9-8-14-31(29)32)40(53)46-33(21-28-12-6-3-7-13-28)39(52)43-30(25-42-38(35)51)20-27-10-4-2-5-11-27/h2-15,24,30,33-35,41H,16-23,25-26H2,1H3,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)/t30-,33+,34+,35-/m1/s1
PubChem CID11343418
ChEMBLCHEMBL224427
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
52167Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
443777Substance-K receptorP21452TACR2Homo sapiens (Human)398

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