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Ligand

NameCHEMBL3609018
Molecular formulaC24H21BFN5O3
IUPAC name[6-[[benzyl-[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]amino]methyl]pyridin-3-yl]boronic acid
Molecular weight457.272
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogPNone
SynonymsBDBM50115227
Inchi KeyIRTVRKUICFESKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21BFN5O3/c26-20-7-10-21(11-8-20)30-23(32)18-12-28-24(29-13-18)31(15-17-4-2-1-3-5-17)16-22-9-6-19(14-27-22)25(33)34/h1-14,33-34H,15-16H2,(H,30,32)
PubChem CID122187268
ChEMBLCHEMBL3609018
IUPHARN/A
BindingDB50115227
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
480212C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
480213C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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