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Ligand

NameCHEMBL384262
Molecular formulaC54H75N13O11
IUPAC name(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight1082.27
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP0.2
Synonyms138109-95-2
Desamino-tyrosyl-phenylalanyl-leucyl-phenylalanyl-glutaminyl-prolyl-glutaminyl-argininamide
BDBM50099301
L-Argininamide, N-(3-(4-hydroxyphenyl)-1-oxopropyl)-L-phenylalanyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-
Day8Ra
[ Show all ]
Inchi KeyWIUOOARHSKVYCC-NKUVHBIJSA-N
Inchi IDInChI=1S/C54H75N13O11/c1-32(2)29-40(65-50(75)41(30-34-11-5-3-6-12-34)61-46(71)26-19-33-17-20-36(68)21-18-33)49(74)66-42(31-35-13-7-4-8-14-35)51(76)64-39(23-25-45(56)70)53(78)67-28-10-16-43(67)52(77)63-38(22-24-44(55)69)48(73)62-37(47(57)72)15-9-27-60-54(58)59/h3-8,11-14,17-18,20-21,32,37-43,68H,9-10,15-16,19,22-31H2,1-2H3,(H2,55,69)(H2,56,70)(H2,57,72)(H,61,71)(H,62,73)(H,63,77)(H,64,76)(H,65,75)(H,66,74)(H4,58,59,60)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
PubChem CID132122
ChEMBLCHEMBL384262
IUPHARN/A
BindingDB50099301
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
374468Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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