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Ligand

NameCHEMBL225297
Molecular formulaC39H47N9O7S
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-sulfamoylpiperazin-1-yl)acetamide
Molecular weight785.921
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP1.2
SynonymsN/A
Inchi KeyBZFUZGJXYGIQSB-ODRDEDCPSA-N
Inchi IDInChI=1S/C39H47N9O7S/c40-56(54,55)48-17-15-47(16-18-48)25-36(50)45-34-22-35(49)44-33(21-28-23-41-31-14-8-7-13-30(28)31)39(53)46-32(20-27-11-5-2-6-12-27)38(52)43-29(24-42-37(34)51)19-26-9-3-1-4-10-26/h1-14,23,29,32-34,41H,15-22,24-25H2,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)(H2,40,54,55)/t29-,32+,33+,34-/m1/s1
PubChem CID11239751
ChEMBLCHEMBL225297
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36402Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
443132Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
36400Substance-K receptorP21452TACR2Homo sapiens (Human)398
36401Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
36403Substance-P receptorP25103TACR1Homo sapiens (Human)407
36404Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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