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Ligand

NameCHEMBL376981
Molecular formulaC16H11Cl2NO3
IUPAC name1-[(3,4-dichlorophenyl)methyl]-5-hydroxyindole-2-carboxylic acid
Molecular weight336.168
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.4
SynonymsSCHEMBL6592482
BBRSCGBAIAKATH-UHFFFAOYSA-N
1-(3,4-dichlorobenzyl)-5-hydroxy-1H-indole-2-carboxylic acid
BDBM50187039
N-(3,4-Dichlorobenzyl)-5-hydroxyindole-2-carboxylic acid
Inchi KeyBBRSCGBAIAKATH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H11Cl2NO3/c17-12-3-1-9(5-13(12)18)8-19-14-4-2-11(20)6-10(14)7-15(19)16(21)22/h1-7,20H,8H2,(H,21,22)
PubChem CID9949615
ChEMBLCHEMBL376981
IUPHARN/A
BindingDB50187039
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
19795C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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