Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50413581
Substrate
n/a
Meas. Tech.
ChEMBL_497564 (CHEMBL998621)
Ki
1584.89±n/a nM
Citation
 Wijtmans, M; Verzijl, D; van Dam, CM; Bosch, L; Smit, MJ; Leurs, R; de Esch, IJ Exploring a pocket for polycycloaliphatic groups in the CXCR3 receptor with the aid of a modular synthetic strategy. Bioorg Med Chem Lett 19:2252-7 (2009) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 3
Synonyms:
AAO92295.1 | C-X-C chemokine receptor type 3 | C-X-C chemokine receptor type 3 (CXCR3) | C-X-C chemokine receptor type 3 (CXCR3A) | CXCR3 | CXCR3A | CXCR3_HUMAN | GPR9 | chemokine (C-X-C motif) receptor 3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
40665.65
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
368
Sequence:
MVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSETSEASYSGL
  
Inhibitor
Name:
BDBM50413581
Synonyms:
CHEMBL472484
Type:
Small organic molecule
Emp. Form.:
C22H30ClFN2
Mol. Mass.:
376.938
SMILES:
Fc1cc(Cl)ccc1CN1CCCN(CC1)C1C2CC3CC(C2)CC1C3 |TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:13:16:20.21.23:25,16:17:20:23.24.25,16:24:20:18.22.17,(32.21,-28.7,;33.05,-27.41,;34.59,-27.49,;35.43,-26.19,;36.97,-26.26,;34.72,-24.81,;33.18,-24.74,;32.36,-26.03,;30.81,-25.96,;30.13,-27.34,;30.99,-28.54,;30.59,-30.01,;29.22,-30.66,;27.81,-29.95,;27.51,-28.42,;28.52,-27.26,;26.52,-30.8,;26.55,-32.33,;25.15,-32.71,;23.81,-32.25,;22.64,-33.56,;24.14,-33.1,;25.56,-33.64,;24.09,-31.51,;25.11,-30.26,;23.77,-30.76,)|
Structure:
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