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Ligand

NameCHEMBL42678
Molecular formulaC28H41N9O6S
IUPAC nameN-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight631.753
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP-1.0
SynonymsBDBM50099303
2-{[1-(5-Dimethylamino-naphthalene-1-sulfonyl)-pyrrolidine-2-carbonyl]-amino}-pentanedioic acid 5-amide 1-[(1-carbamoyl-4-guanidino-butyl)-amide]
SCHEMBL1369585
Inchi KeyBBGOBIHEYSBBEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H41N9O6S/c1-36(2)21-10-3-8-18-17(21)7-4-12-23(18)44(42,43)37-16-6-11-22(37)27(41)35-20(13-14-24(29)38)26(40)34-19(25(30)39)9-5-15-33-28(31)32/h3-4,7-8,10,12,19-20,22H,5-6,9,11,13-16H2,1-2H3,(H2,29,38)(H2,30,39)(H,34,40)(H,35,41)(H4,31,32,33)
PubChem CID23398088
ChEMBLN/A
IUPHARN/A
BindingDB50099303
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19473Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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