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Ligand

NameCHEMBL2370050
Molecular formulaC42H67N11O9
IUPAC nametert-butyl N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-[(2S)-2-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
Molecular weight870.066
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP1.2
SynonymsN/A
Inchi KeyGFFXAFNYOGVKHB-HWWPPXSWSA-N
Inchi IDInChI=1S/C42H67N11O9/c1-7-8-17-28(33(43)54)49-37(58)31-19-13-22-52(31)39(60)32-20-14-23-53(32)38(59)30(24-27-15-10-9-11-16-27)50-35(56)26(3)47-34(55)25(2)48-36(57)29(18-12-21-46-40(44)45)51-41(61)62-42(4,5)6/h9-11,15-16,25-26,28-32H,7-8,12-14,17-24H2,1-6H3,(H2,43,54)(H,47,55)(H,48,57)(H,49,58)(H,50,56)(H,51,61)(H4,44,45,46)/t25-,26+,28-,29-,30-,31-,32+/m0/s1
PubChem CID14991660
ChEMBLCHEMBL2370050
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
95052Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
95051Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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