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Ligand

NameCHEMBL3904195
Molecular formulaC25H27N3O7S
IUPAC namemethyl 2-[[2-hydroxy-3-[[2-[[(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-methylamino]acetate
Molecular weight513.565
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP3.3
SynonymsN/A
Inchi KeyJBBKREGWJICILL-NNBQYGFHSA-N
Inchi IDInChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1
PubChem CID71526342
ChEMBLCHEMBL3904195
IUPHARN/A
BindingDB236788
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
539733C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
539732C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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