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Ligand

NameCHEMBL3941970
Molecular formulaC34H54BrN9O7
IUPAC name(2S)-2-[[3-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
Molecular weight780.766
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP-2.2
SynonymsBDBM50206705
Inchi KeyPRIGXNBMRKIROG-XFHAQAAWSA-N
Inchi IDInChI=1S/C34H54BrN9O7/c1-20(2)19-25(31(48)49)42-32(50)34(14-18-51-27(34)21-10-12-22(35)13-11-21)43-29(46)26-9-6-17-44(26)30(47)24(8-3-4-15-36)41-28(45)23(37)7-5-16-40-33(38)39/h10-13,20,23-27H,3-9,14-19,36-37H2,1-2H3,(H,41,45)(H,42,50)(H,43,46)(H,48,49)(H4,38,39,40)/t23-,24-,25-,26-,27?,34?/m0/s1
PubChem CID134146201
ChEMBLCHEMBL3941970
IUPHARN/A
BindingDB50206705
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
551175Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
551174Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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