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Ligand

NameBVD 10
Molecular formulaC58H92N16O13
IUPAC namemethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Molecular weight1221.47
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP0.4
Synonyms262418-00-8
CHEMBL438914
SCHEMBL10085999
BDBM50099203
AKOS024456973
[ Show all ]
Inchi KeyJLQHEFJKMUJISI-QUCBMPEKSA-N
Inchi IDInChI=1S/C58H92N16O13/c1-8-32(5)46(60)53(83)71-42(30-45(59)77)55(85)74-26-12-15-44(74)52(82)73-47(33(6)9-2)54(84)70-41(28-34-16-20-36(75)21-17-34)51(81)68-38(13-10-24-65-57(61)62)48(78)69-40(27-31(3)4)50(80)67-39(14-11-25-66-58(63)64)49(79)72-43(56(86)87-7)29-35-18-22-37(76)23-19-35/h16-23,31-33,38-44,46-47,75-76H,8-15,24-30,60H2,1-7H3,(H2,59,77)(H,67,80)(H,68,81)(H,69,78)(H,70,84)(H,71,83)(H,72,79)(H,73,82)(H4,61,62,65)(H4,63,64,66)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,46-,47-/m0/s1
PubChem CID10820196
ChEMBLCHEMBL438914
IUPHARN/A
BindingDB50099203
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
153862Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
153864Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
153865Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
153863Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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