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Ligand

NameCHEMBL1271444
Molecular formulaC28H46N6O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight546.713
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.8
SynonymsN/A
Inchi KeyAWIHNOQTAKXZAL-JTJYXVOQSA-N
Inchi IDInChI=1S/C28H46N6O5/c1-3-19(2)25(28(38)30-13-10-24(35)34-15-11-21(18-29)12-16-34)33-26(36)22(17-20-7-5-4-6-8-20)32-27(37)23-9-14-31-39-23/h9,14,19-22,25H,3-8,10-13,15-18,29H2,1-2H3,(H,30,38)(H,32,37)(H,33,36)/t19-,22-,25-/m0/s1
PubChem CID49788234
ChEMBLCHEMBL1271444
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16051Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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