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Ligand

NameCHEMBL3933958
Molecular formulaC26H36N8O2S
IUPAC name2-[3-[(3S,6S,9aR)-3-[2-(diaminomethylideneamino)ethyl]-8-(2-naphthalen-2-ylethyl)-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
XlogP0.8
SynonymsBDBM50207529
Inchi KeyADYXKLLICWPDPD-BHIFYINESA-N
Inchi IDInChI=1S/C26H36N8O2S/c27-25(28)31-11-3-6-21-24(36)33(13-10-17-7-8-18-4-1-2-5-19(18)14-17)15-22-34(21)23(35)20(16-37-22)9-12-32-26(29)30/h1-2,4-5,7-8,14,20-22H,3,6,9-13,15-16H2,(H4,27,28,31)(H4,29,30,32)/t20-,21+,22-/m1/s1
PubChem CID134138415
ChEMBLCHEMBL3933958
IUPHARN/A
BindingDB50207529
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
547933C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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