Ki Summary

Reaction Details

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Target

Toll-like receptor 4

Ligand

BDBM50255626

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1687455 (CHEMBL4037934)

IC50

42000±n/a nM

Citation

Facchini, FA; Zaffaroni, L; Minotti, A; Rapisarda, S; Calabrese, V; Forcella, M; Fusi, P; Airoldi, C; Ciaramelli, C; Billod, JM; Schromm, AB; Braun, H; Palmer, C; Beyaert, R; Lapenta, F; Jerala, R; Pirianov, G; Martin-Santamaria, S; Peri, F Structure-Activity Relationship in Monosaccharide-Based Toll-Like Receptor 4 (TLR4) Antagonists. J Med Chem61:2895-2909 (2018) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Toll-like receptor 4

Name:

Toll-like receptor 4

Synonyms:

TLR4 | TLR4-MD2 | TLR4_HUMAN

Type:

PROTEIN

Mol. Mass.:

95675.49

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1436169

Residue:

839

Sequence:

MMSASRLAGTLIPAMAFLSCVRPESWEPCVEVVPNITYQCMELNFYKIPDNLPFSTKNLD
LSFNPLRHLGSYSFFSFPELQVLDLSRCEIQTIEDGAYQSLSHLSTLILTGNPIQSLALG
AFSGLSSLQKLVAVETNLASLENFPIGHLKTLKELNVAHNLIQSFKLPEYFSNLTNLEHL
DLSSNKIQSIYCTDLRVLHQMPLLNLSLDLSLNPMNFIQPGAFKEIRLHKLTLRNNFDSL
NVMKTCIQGLAGLEVHRLVLGEFRNEGNLEKFDKSALEGLCNLTIEEFRLAYLDYYLDDI
IDLFNCLTNVSSFSLVSVTIERVKDFSYNFGWQHLELVNCKFGQFPTLKLKSLKRLTFTS
NKGGNAFSEVDLPSLEFLDLSRNGLSFKGCCSQSDFGTTSLKYLDLSFNGVITMSSNFLG
LEQLEHLDFQHSNLKQMSEFSVFLSLRNLIYLDISHTHTRVAFNGIFNGLSSLEVLKMAG
NSFQENFLPDIFTELRNLTFLDLSQCQLEQLSPTAFNSLSSLQVLNMSHNNFFSLDTFPY
KCLNSLQVLDYSLNHIMTSKKQELQHFPSSLAFLNLTQNDFACTCEHQSFLQWIKDQRQL
LVEVERMECATPSDKQGMPVLSLNITCQMNKTIIGVSVLSVLVVSVVAVLVYKFYFHLML
LAGCIKYGRGENIYDAFVIYSSQDEDWVRNELVKNLEEGVPPFQLCLHYRDFIPGVAIAA
NIIHEGFHKSRKVIVVVSQHFIQSRWCIFEYEIAQTWQFLSSRAGIIFIVLQKVEKTLLR
QQVELYRLLSRNTYLEWEDSVLGRHIFWRRLRKALLDGKSWNPEGTVGTGCNWQEATSI

BDBM50255626

n/a

Name

BDBM50255626

Synonyms:

CHEMBL4069693

Type

Small organic molecule

Emp. Form.

C26H49NNa2O13P2

Mol. Mass.

691.5932

SMILES

[Na+].[Na+].CCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCC |r|

Structure