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Ligand

NameCHEMBL344020
Molecular formulaC35H57N9O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(4-aminobutylamino)-2-azidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight715.897
Hydrogen bond acceptor11
Hydrogen bond donor7
XlogP1.9
Synonyms1-[(S)-2-Azido-5-(4-aminobutylamino)pentanoyl]-L-Pro-L-Tyr-L-Ile-L-Leu-OH
(S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(4-Amino-butylamino)-2-azido-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
BDBM50086638
Inchi KeyDDUDMHTVUYANAL-OBXVVNIGSA-N
Inchi IDInChI=1S/C35H57N9O7/c1-5-23(4)30(33(48)40-28(35(50)51)20-22(2)3)41-31(46)27(21-24-12-14-25(45)15-13-24)39-32(47)29-11-9-19-44(29)34(49)26(42-43-37)10-8-18-38-17-7-6-16-36/h12-15,22-23,26-30,38,45H,5-11,16-21,36H2,1-4H3,(H,39,47)(H,40,48)(H,41,46)(H,50,51)/t23-,26-,27-,28-,29-,30-/m0/s1
PubChem CID44360330
ChEMBLCHEMBL344020
IUPHARN/A
BindingDB50086638
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
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GLASS IDNameUniProtGeneSpeciesLength
57459Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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