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Ligand

NameCHEMBL266230
Molecular formulaC39H66N12O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight831.033
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-2.5
SynonymsArg-Arg-beta-hPro-Tyr-Ile-Leu-OH
(S)-2-((2S,3S)-2-((S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidin-2-yl)acetamido)-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)-4-methylpentanoic acid
BDBM50342259
Inchi KeyRBBXAKYZNSKXEV-ASPXTORKSA-N
Inchi IDInChI=1S/C39H66N12O8/c1-5-23(4)32(35(56)49-30(37(58)59)19-22(2)3)50-34(55)29(20-24-12-14-26(52)15-13-24)47-31(53)21-25-9-8-18-51(25)36(57)28(11-7-17-46-39(43)44)48-33(54)27(40)10-6-16-45-38(41)42/h12-15,22-23,25,27-30,32,52H,5-11,16-21,40H2,1-4H3,(H,47,53)(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,25-,27-,28-,29-,30-,32-/m0/s1
PubChem CID44447826
ChEMBLCHEMBL266230
IUPHARN/A
BindingDB50342259
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
291913Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
291914Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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