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Ligand

NameCHEMBL225475
Molecular formulaC45H56N8O5
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-piperidin-1-ylpiperidin-1-yl)acetamide
Molecular weight788.994
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP4.3
SynonymsN/A
Inchi KeyKGHTWDQPGSOHJN-BPSUTHQGSA-N
Inchi IDInChI=1S/C45H56N8O5/c54-41-27-40(50-42(55)30-52-22-18-35(19-23-52)53-20-10-3-11-21-53)43(56)47-29-34(24-31-12-4-1-5-13-31)48-44(57)38(25-32-14-6-2-7-15-32)51-45(58)39(49-41)26-33-28-46-37-17-9-8-16-36(33)37/h1-2,4-9,12-17,28,34-35,38-40,46H,3,10-11,18-27,29-30H2,(H,47,56)(H,48,57)(H,49,54)(H,50,55)(H,51,58)/t34-,38+,39+,40-/m1/s1
PubChem CID10876489
ChEMBLCHEMBL225475
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
168490Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
168488Substance-K receptorP21452TACR2Homo sapiens (Human)398
168491Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
168489Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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