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Ligand

NameRFRP-1 (human)
Molecular formulaC67H101N19O14S
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]-3-phenylpropanoyl]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 weight1428.72
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP-1.1
Synonyms311309-25-8
CHEMBL2181308
AKOS027470253
Inchi KeySTXUPUZSJMRDJT-IWPKOFGPSA-N
Inchi IDInChI=1S/C67H101N19O14S/c1-37(2)28-46(59(93)77-44(20-13-24-74-67(71)72)57(91)78-45(55(70)89)30-40-16-9-7-10-17-40)81-64(98)53-22-15-26-86(53)66(100)50(29-38(3)4)83-61(95)49(33-54(69)88)79-56(90)39(5)76-58(92)47(31-41-18-11-8-12-19-41)80-62(96)51(35-87)84-60(94)48(32-42-34-73-36-75-42)82-63(97)52-21-14-25-85(52)65(99)43(68)23-27-101-6/h7-12,16-19,34,36-39,43-53,87H,13-15,20-33,35,68H2,1-6H3,(H2,69,88)(H2,70,89)(H,73,75)(H,76,92)(H,77,93)(H,78,91)(H,79,90)(H,80,96)(H,81,98)(H,82,97)(H,83,95)(H,84,94)(H4,71,72,74)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
PubChem CID71462794
ChEMBLCHEMBL2181308
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
323132Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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