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Ligand

NameNEUROTENSIN
Molecular formulaC78H121N21O20
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight1672.95
Hydrogen bond acceptor23
Hydrogen bond donor21
XlogP-3.7
SynonymsCHEMBL407196
55508-42-4
58889-67-1
Neurotensin (ox)
(D-Tyr11)neurotensin
[ Show all ]
Inchi KeyPCJGZPGTCUMMOT-ISULXFBGSA-N
Inchi IDInChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
PubChem CID25077406
ChEMBLCHEMBL407196
IUPHAR1579
BindingDB50130880
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
256345Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424
256346Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
256348Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424
256344Neurotensin receptor type 2Q63384Ntsr2Rattus norvegicus (Rat)416
256347Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410
554551Neurotensin receptor type 2P70310Ntsr2Mus musculus (Mouse)416

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