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Ligand

NameCHEMBL386823
Molecular formulaC57H91N17O12
IUPAC name(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1206.46
Hydrogen bond acceptor15
Hydrogen bond donor16
XlogP-0.6
Synonyms(Pro30,tyr32,leu34)-neuropeptide y(28-36)
161650-01-7
BDBM50034121
BDBM85376
BW-1911U90
[ Show all ]
Inchi KeyXLONJGQDWUWWLC-ZXCMXKESSA-N
Inchi IDInChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
PubChem CID10418848
ChEMBLCHEMBL386823
IUPHARN/A
BindingDB50034121, 85376
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
395056Neuropeptide Y receptor type 1P21555Npy1rRattus norvegicus (Rat)382
395057Neuropeptide Y receptor type 1Q9WVD0NPY1RCavia porcellus (Guinea pig)383
395058Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
395060Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
395062Neuropeptide Y receptor type 2Q9Z2D5NPY2RCavia porcellus (Guinea pig)381
395061Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
395059Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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