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Ligand

NameCHEMBL335248
Molecular formulaC32H53N7O6S
IUPAC name(2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanamide
Molecular weight663.879
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP1.4
Synonyms2-(2-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propionylamino]-3-methyl-butyrylamino}-acetylamino)-4-methyl-pentanoic acid (1-carbamoyl-3-methylsulfanyl-propyl)-amide
BDBM50001606
Inchi KeyAXBNZSCWPTYORA-MGDCHWCSSA-N
Inchi IDInChI=1S/C32H53N7O6S/c1-20(2)17-24(30(43)38-23(29(34)42)14-16-46-5)37-27(41)19-35-32(45)28(21(3)4)39-31(44)25(18-22-11-7-6-8-12-22)36-26(40)13-9-10-15-33/h6-8,11-12,20-21,23-25,28H,9-10,13-19,33H2,1-5H3,(H2,34,42)(H,35,45)(H,36,40)(H,37,41)(H,38,43)(H,39,44)/t23-,24-,25-,28-/m0/s1
PubChem CID10009596
ChEMBLCHEMBL335248
IUPHARN/A
BindingDB50001606
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16529Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
16530Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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