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Ligand

NameCHEMBL2177245
Molecular formulaC61H97N19O14S
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]butanediamide
Molecular weight1352.63
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP-2.7
SynonymsN/A
Inchi KeyMZARSKSGDTUUDQ-TZBIPIOFSA-N
Inchi IDInChI=1S/C61H97N19O14S/c1-32(2)24-41(53(87)72-39(16-11-20-68-61(65)66)52(86)73-40(49(64)83)26-36-14-9-8-10-15-36)75-58(92)47-18-13-22-80(47)60(94)44(25-33(3)4)77-55(89)43(28-48(63)82)74-51(85)35(6)70-50(84)34(5)71-56(90)45(30-81)78-54(88)42(27-37-29-67-31-69-37)76-57(91)46-17-12-21-79(46)59(93)38(62)19-23-95-7/h8-10,14-15,29,31-35,38-47,81H,11-13,16-28,30,62H2,1-7H3,(H2,63,82)(H2,64,83)(H,67,69)(H,70,84)(H,71,90)(H,72,87)(H,73,86)(H,74,85)(H,75,92)(H,76,91)(H,77,89)(H,78,88)(H4,65,66,68)/t34-,35-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
PubChem CID71458981
ChEMBLCHEMBL2177245
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
217676Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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