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Ligand

NameBDBM50441969
Molecular formulaC75H119N25O17
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S,2R)-2-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]cyclobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide
Molecular weight1642.94
Hydrogen bond acceptor21
Hydrogen bond donor24
XlogP-2.8
SynonymsN/A
Inchi KeyGURBWRRZZPRYPX-BDNVQPKVSA-N
Inchi IDInChI=1S/C75H119N25O17/c1-9-38(5)58(98-69(114)54(32-43-19-23-46(104)24-20-43)95-66(111)55(33-44-35-84-36-88-44)96-63(108)49(89-41(8)102)14-11-27-85-73(78)79)70(115)97-56(34-57(76)105)67(112)94-53(30-37(3)4)68(113)99-59(39(6)10-2)71(116)100-60(40(7)101)72(117)92-51(16-13-29-87-75(82)83)64(109)90-48-26-25-47(48)62(107)91-50(15-12-28-86-74(80)81)65(110)93-52(61(77)106)31-42-17-21-45(103)22-18-42/h17-24,35-40,47-56,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,109)(H,91,107)(H,92,117)(H,93,110)(H,94,112)(H,95,111)(H,96,108)(H,97,115)(H,98,114)(H,99,113)(H,100,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-/m0/s1
PubChem CID91898577
ChEMBLCHEMBL2440188
IUPHARN/A
BindingDB50441969
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
105857Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
105855Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
105856Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
105858Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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