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Ligand

NameCHEMBL387136
Molecular formulaC24H28BrClN6O5S
IUPAC name(2R)-1-[3-[[3-[[N'-(2-bromophenyl)-N-cyanocarbamimidoyl]amino]-6-chloro-2-hydroxyphenyl]sulfonylamino]pentan-3-yl]pyrrolidine-2-carboxylic acid
Molecular weight627.939
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP3.5
Synonyms(R)-1-(3-(3-(3-(2-bromophenyl)-2-cyanoguanidino)-6-chloro-2-hydroxyphenylsulfonamido)pentan-3-yl)pyrrolidine-2-carboxylic acid
BDBM50193973
Inchi KeyCODGMHXCDXLYFF-LJQANCHMSA-N
Inchi IDInChI=1S/C24H28BrClN6O5S/c1-3-24(4-2,32-13-7-10-19(32)22(34)35)31-38(36,37)21-16(26)11-12-18(20(21)33)30-23(28-14-27)29-17-9-6-5-8-15(17)25/h5-6,8-9,11-12,19,31,33H,3-4,7,10,13H2,1-2H3,(H,34,35)(H2,28,29,30)/t19-/m1/s1
PubChem CID44419555
ChEMBLCHEMBL387136
IUPHARN/A
BindingDB50193973
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
46568C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
46567C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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