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Ligand

NameCHEMBL407343
Molecular formulaC51H72N14O10
IUPAC name(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Molecular weight1041.22
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP-1.0
SynonymsBDBM50037569
2-(2-Amino-3-phenyl-propionylamino)-4-methyl-pentanoic acid (1-{3-carbamoyl-1-[({3-carbamoyl-1-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-propylcarbamoyl}-methyl)-carbamoyl]-propylcarbamoyl}-2-phenyl-ethyl)-amide
Inchi KeyVCBPFFBCOXWCAQ-OAKHNGAUSA-N
Inchi IDInChI=1S/C51H72N14O10/c1-30(2)25-39(64-45(70)34(52)26-31-13-6-3-7-14-31)49(74)65-40(28-33-17-10-5-11-18-33)50(75)62-36(20-22-41(53)66)46(71)59-29-43(68)60-37(21-23-42(54)67)48(73)61-35(19-12-24-58-51(56)57)47(72)63-38(44(55)69)27-32-15-8-4-9-16-32/h3-11,13-18,30,34-40H,12,19-29,52H2,1-2H3,(H2,53,66)(H2,54,67)(H2,55,69)(H,59,71)(H,60,68)(H,61,73)(H,62,75)(H,63,72)(H,64,70)(H,65,74)(H4,56,57,58)/t34-,35-,36-,37-,38-,39-,40-/m0/s1
PubChem CID10396300
ChEMBLCHEMBL407343
IUPHARN/A
BindingDB50037569
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
351329Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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