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Ligand

NameCHEMBL171907
Molecular formulaC32H60N12O7
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]-4-methylpentanoic acid
Molecular weight724.909
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-5.2
SynonymsBDBM50281780
(2S,5S)-2-{2-[2-({(S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
Inchi KeyYSPYREJETFBZLO-CBUBZBNCSA-N
Inchi IDInChI=1S/C32H60N12O7/c1-6-18(4)24(28(48)42-22(30(50)51)16-17(2)3)43-25(45)19(5)40-27(47)23-12-9-15-44(23)29(49)21(11-8-14-39-32(36)37)41-26(46)20(33)10-7-13-38-31(34)35/h17-24H,6-16,33H2,1-5H3,(H,40,47)(H,41,46)(H,42,48)(H,43,45)(H,50,51)(H4,34,35,38)(H4,36,37,39)/t18-,19+,20+,21+,22+,23+,24+/m1/s1
PubChem CID44384830
ChEMBLCHEMBL171907
IUPHARN/A
BindingDB50281780
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
418275Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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