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Ligand

NameCHEMBL117975
Molecular formulaC30H47N11O7
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight673.776
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-5.4
SynonymsBDBM50037566
(S)-2-{[(R)-1-((S)-2-Amino-4-carbamoyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanedioic acid 5-amide 1-{[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide}
Inchi KeyNIPZTEUMXAUJAG-KNOXWWKRSA-N
Inchi IDInChI=1S/C30H47N11O7/c31-18(10-12-23(32)42)29(48)41-15-5-9-22(41)28(47)39-20(11-13-24(33)43)27(46)38-19(8-4-14-37-30(35)36)26(45)40-21(25(34)44)16-17-6-2-1-3-7-17/h1-3,6-7,18-22H,4-5,8-16,31H2,(H2,32,42)(H2,33,43)(H2,34,44)(H,38,46)(H,39,47)(H,40,45)(H4,35,36,37)/t18-,19-,20-,21-,22+/m0/s1
PubChem CID10439483
ChEMBLCHEMBL117975
IUPHARN/A
BindingDB50037566
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
224223Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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