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Ligand

NameCHEMBL380726
Molecular formulaC34H53N7O6
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight655.841
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP0.1
Synonyms(S)-2-{(S)-2-[(S)-2-{[(S)-1-((S)-2,6-Diamino-hexanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
BDBM50286858
Inchi KeyMEOLJNZRWYJYQU-FWWXEKRMSA-N
Inchi IDInChI=1S/C34H53N7O6/c1-20(2)17-26(33(46)47)39-31(44)28(34(3,4)5)40-29(42)25(18-21-19-37-24-13-7-6-11-22(21)24)38-30(43)27-14-10-16-41(27)32(45)23(36)12-8-9-15-35/h6-7,11,13,19-20,23,25-28,37H,8-10,12,14-18,35-36H2,1-5H3,(H,38,43)(H,39,44)(H,40,42)(H,46,47)/t23-,25-,26-,27-,28+/m0/s1
PubChem CID44264139
ChEMBLCHEMBL380726
IUPHARN/A
BindingDB50286858
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
203575Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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