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Ligand

NameCHEMBL173256
Molecular formulaC29H54N12O7
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoic acid
Molecular weight682.828
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-6.5
SynonymsBDBM50281789
(S)-2-{2-[2-({(S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-propionylamino]-3-methyl-pentanoylamino}-propionic acid
Inchi KeyKLVHREMVWLHDIP-MQWPULPWSA-N
Inchi IDInChI=1S/C29H54N12O7/c1-5-15(2)21(25(45)38-17(4)27(47)48)40-22(42)16(3)37-24(44)20-11-8-14-41(20)26(46)19(10-7-13-36-29(33)34)39-23(43)18(30)9-6-12-35-28(31)32/h15-21H,5-14,30H2,1-4H3,(H,37,44)(H,38,45)(H,39,43)(H,40,42)(H,47,48)(H4,31,32,35)(H4,33,34,36)/t15-,16+,17+,18+,19+,20+,21+/m1/s1
PubChem CID44386219
ChEMBLCHEMBL173256
IUPHARN/A
BindingDB50281789
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
172356Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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