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Ligand

NameCHEMBL367552
Molecular formulaC38H65N13O7
IUPAC name(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight816.022
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-0.9
Synonyms(S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carboxylic acid [1-[(S)-1-((R)-carbamoyl-3-(S)-1-methyl-butylcarbamoyl)-2-methyl-butylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-amide
BDBM50281783
Inchi KeyKBAKOVWXOWLWJJ-CSJNAZMVSA-N
Inchi IDInChI=1S/C38H65N13O7/c1-5-22(4)30(35(57)48-27(31(40)53)19-21(2)3)50-33(55)28(20-23-12-14-24(52)15-13-23)49-34(56)29-11-8-18-51(29)36(58)26(10-7-17-46-38(43)44)47-32(54)25(39)9-6-16-45-37(41)42/h12-15,21-22,25-30,52H,5-11,16-20,39H2,1-4H3,(H2,40,53)(H,47,54)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,45)(H4,43,44,46)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
PubChem CID44384693
ChEMBLCHEMBL367552
IUPHARN/A
BindingDB50281783
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
164830Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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