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Ligand

NameCHEMBL3735396
Molecular formulaC41H57N7O11S
IUPAC name(4R)-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-(3-carboxypropanoylamino)-5-oxopentanoic acid
Molecular weight856.005
Hydrogen bond acceptor12
Hydrogen bond donor8
XlogP1.5
SynonymsN/A
Inchi KeyAPDSVLDZPYXCHU-RTMXLORFSA-N
Inchi IDInChI=1S/C41H57N7O11S/c1-25(2)21-30(39(57)46-28(37(42)55)19-20-60-4)45-34(50)24-43-40(58)32(23-27-13-9-6-10-14-27)48(3)41(59)31(22-26-11-7-5-8-12-26)47-38(56)29(15-17-35(51)52)44-33(49)16-18-36(53)54/h5-14,25,28-32H,15-24H2,1-4H3,(H2,42,55)(H,43,58)(H,44,49)(H,45,50)(H,46,57)(H,47,56)(H,51,52)(H,53,54)/t28-,29+,30-,31-,32-/m0/s1
PubChem CID127035367
ChEMBLCHEMBL3735396
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521744Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
521745Substance-K receptorP21452TACR2Homo sapiens (Human)398
521746Substance-P receptorP25103TACR1Homo sapiens (Human)407

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