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Ligand

NameCHEMBL141910
Molecular formulaC37H60N10O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azido-5-(2-piperazin-1-ylethylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight756.95
Hydrogen bond acceptor12
Hydrogen bond donor7
XlogP1.5
Synonyms(S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-2-Azido-5-(2-piperazin-1-yl-ethylamino)-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
BDBM50086640
1-[(S)-2-Azido-5-(2-piperazinoethylamino)pentanoyl]-L-Pro-L-Tyr-L-Ile-L-Leu-OH
Inchi KeyDFQQXMKBOBUIDP-YBEDAUBBSA-N
Inchi IDInChI=1S/C37H60N10O7/c1-5-25(4)32(35(51)42-30(37(53)54)22-24(2)3)43-33(49)29(23-26-10-12-27(48)13-11-26)41-34(50)31-9-7-18-47(31)36(52)28(44-45-38)8-6-14-39-15-19-46-20-16-40-17-21-46/h10-13,24-25,28-32,39-40,48H,5-9,14-23H2,1-4H3,(H,41,50)(H,42,51)(H,43,49)(H,53,54)/t25-,28-,29-,30-,31-,32-/m0/s1
PubChem CID44360527
ChEMBLCHEMBL141910
IUPHARN/A
BindingDB50086640
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
58808Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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