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Ligand

NameCHEMBL3890335
Molecular formulaC34H54BrN7O7
IUPAC name(2S)-2-[[3-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
Molecular weight752.752
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP-1.2
SynonymsBDBM50206709
Inchi KeyDJSRXHVXZKWCQM-NTBXWRTMSA-N
Inchi IDInChI=1S/C34H54BrN7O7/c1-21(2)20-26(32(46)47)40-33(48)34(15-19-49-28(34)22-11-13-23(35)14-12-22)41-30(44)27-10-7-18-42(27)31(45)25(9-4-6-17-37)39-29(43)24(38)8-3-5-16-36/h11-14,21,24-28H,3-10,15-20,36-38H2,1-2H3,(H,39,43)(H,40,48)(H,41,44)(H,46,47)/t24-,25-,26-,27-,28?,34?/m0/s1
PubChem CID134136231
ChEMBLCHEMBL3890335
IUPHARN/A
BindingDB50206709
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
548625Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
548624Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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