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Ligand

NameCHEMBL2370632
Molecular formulaC97H155N33O26
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(3S,6S,9S,13S,17S,20S,23R,26S)-3-(4-aminobutyl)-9-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-20-[3-(diaminomethylideneamino)propyl]-6-(hydroxymethyl)-17-(1H-imidazol-4-ylmethyl)-23-methyl-2,5,8,11,16,19,22,25-octaoxo-1,4,7,12,15,18,21,24-octazabicyclo[24.3.0]nonacosane-13-carbonyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular weight2199.51
Hydrogen bond acceptor32
Hydrogen bond donor33
XlogP-10.1
SynonymsBDBM50046543
Tyr-c((D-Glu)-Ser-Lys-Pro-(D-Ala)-Arg-His-(DDpr))-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg-Tyr
Inchi KeyANIBHQBBNODOQJ-MKOMAIAQSA-N
Inchi IDInChI=1S/C97H155N33O26/c1-9-48(5)74(90(151)124-65(41-72(101)136)84(145)122-63(37-47(3)4)86(147)127-75(49(6)10-2)91(152)129-76(51(8)132)92(153)119-60(20-15-35-111-97(106)107)80(141)118-61(30-31-71(100)135)83(144)117-59(19-14-34-110-96(104)105)82(143)125-67(94(155)156)39-53-24-28-56(134)29-25-53)128-87(148)68-44-112-79(140)64(40-54-43-108-46-113-54)123-81(142)58(18-13-33-109-95(102)103)116-77(138)50(7)114-89(150)70-21-16-36-130(70)93(154)62(17-11-12-32-98)120-88(149)69(45-131)126-85(146)66(42-73(137)115-68)121-78(139)57(99)38-52-22-26-55(133)27-23-52/h22-29,43,46-51,57-70,74-76,131-134H,9-21,30-42,44-45,98-99H2,1-8H3,(H2,100,135)(H2,101,136)(H,108,113)(H,112,140)(H,114,150)(H,115,137)(H,116,138)(H,117,144)(H,118,141)(H,119,153)(H,120,149)(H,121,139)(H,122,145)(H,123,142)(H,124,151)(H,125,143)(H,126,146)(H,127,147)(H,128,148)(H,129,152)(H,155,156)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t48-,49-,50+,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-/m0/s1
PubChem CID73345485
ChEMBLCHEMBL2370632
IUPHARN/A
BindingDB50046543
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9589Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
9588Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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