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Ligand

NameCHEMBL3902257
Molecular formulaC26H36N8O2S
IUPAC name2-[3-[(6S)-3-[3-(diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine
Molecular weight524.688
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP0.7
SynonymsBDBM50207535
Inchi KeyAXUYHQGZBGMDGJ-ORFBVSJDSA-N
Inchi IDInChI=1S/C26H36N8O2S/c27-25(28)31-11-3-7-20-16-37-22-15-33(14-17-9-10-18-5-1-2-6-19(18)13-17)24(36)21(34(22)23(20)35)8-4-12-32-26(29)30/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H4,27,28,31)(H4,29,30,32)/t20?,21-,22?/m0/s1
PubChem CID134135691
ChEMBLCHEMBL3902257
IUPHARN/A
BindingDB50207535
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
548089C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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