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Ligand

NameCHEMBL2181026
Molecular formulaC64H95N19O14S
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]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]butanediamide
Molecular weight1386.64
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP-2.4
SynonymsN/A
Inchi KeyWZSGUZKSLQPQRV-IDCGTTHNSA-N
Inchi IDInChI=1S/C64H95N19O14S/c1-35(2)27-47(63(97)83-25-14-20-49(83)60(94)74-37(4)53(87)75-42(19-12-23-71-64(68)69)55(89)76-43(52(67)86)28-38-15-8-6-9-16-38)80-58(92)46(31-51(66)85)77-54(88)36(3)73-56(90)44(29-39-17-10-7-11-18-39)78-59(93)48(33-84)81-57(91)45(30-40-32-70-34-72-40)79-61(95)50-21-13-24-82(50)62(96)41(65)22-26-98-5/h6-11,15-18,32,34-37,41-50,84H,12-14,19-31,33,65H2,1-5H3,(H2,66,85)(H2,67,86)(H,70,72)(H,73,90)(H,74,94)(H,75,87)(H,76,89)(H,77,88)(H,78,93)(H,79,95)(H,80,92)(H,81,91)(H4,68,69,71)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
PubChem CID71462762
ChEMBLCHEMBL2181026
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
386500Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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