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Ligand

NameCHEMBL6716
Molecular formulaC38H61N11O6
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[5-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight767.977
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP1.4
SynonymsBDBM50286864
(S)-2-{(S)-2-[(S)-2-({(R)-1-[5-Guanidino-2-(3-guanidino-propyl)-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Inchi KeyKSAMAHDHHCBDRP-VZNYXHRGSA-N
Inchi IDInChI=1S/C38H61N11O6/c1-22(2)19-28(35(54)55)47-33(52)30(38(3,4)5)48-31(50)27(20-24-21-45-26-14-7-6-13-25(24)26)46-32(51)29-15-10-18-49(29)34(53)23(11-8-16-43-36(39)40)12-9-17-44-37(41)42/h6-7,13-14,21-23,27-30,45H,8-12,15-20H2,1-5H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1
PubChem CID44264095
ChEMBLCHEMBL6716
IUPHARN/A
BindingDB50286864
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
176867Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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