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Ligand

NameCHEMBL328512
Molecular formulaC28H40N6O8S
IUPAC name(3S)-4-amino-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight620.722
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP0.5
Synonyms3-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid
BDBM50026288
Inchi KeyQFYFCIBCLVNGDV-ZEWNOJEFSA-N
Inchi IDInChI=1S/C28H40N6O8S/c1-15(31-27(41)42-28(2,3)4)24(38)34-21(12-16-14-30-18-9-7-6-8-17(16)18)26(40)32-19(10-11-43-5)25(39)33-20(23(29)37)13-22(35)36/h6-9,14-15,19-21,30H,10-13H2,1-5H3,(H2,29,37)(H,31,41)(H,32,40)(H,33,39)(H,34,38)(H,35,36)/t15-,19-,20-,21-/m0/s1
PubChem CID44326907
ChEMBLCHEMBL328512
IUPHARN/A
BindingDB50026288
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
277353Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
277354Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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