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Ligand

NameCHEMBL434227
Molecular formulaC39H66N12O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight831.033
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP-1.5
SynonymsBDBM50133198
Compound KK16
Inchi KeyCFEQRHAHQABPPS-VGPFALITSA-N
Inchi IDInChI=1S/C39H66N12O8/c1-6-23(4)31(35(56)48-29(37(58)59)20-22(2)3)49-33(54)28(21-24-13-15-25(52)16-14-24)47-34(55)30-12-9-19-51(30)36(57)27(41)11-8-18-46-39(43)50-32(53)26(40)10-7-17-45-38(42)44-5/h13-16,22-23,26-31,52H,6-12,17-21,40-41H2,1-5H3,(H,47,55)(H,48,56)(H,49,54)(H,58,59)(H3,42,44,45)(H3,43,46,50,53)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
PubChem CID44354244
ChEMBLCHEMBL434227
IUPHARN/A
BindingDB50133198
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
40576Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
40577Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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