Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 1/2
Ligand
BDBM50214155
Substrate
n/a
Meas. Tech.
ChEMBL_89096 (CHEMBL696550)
Ki
10000±n/a nM
Citation
  TBA Bioorg Med Chem Lett 6:1869-1874 (1996)   
Target
Name:
C-X-C chemokine receptor type 1/2
Synonyms:
Interleukin-8 receptors, CXCR1/CXCR2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 89096
Components:
This complex has 2 components.
Component 1
Name:
C-X-C chemokine receptor type 1
Synonyms:
C-X-C chemokine receptor type 1 (CXCR-1) | C-X-C chemokine receptor type 1 (CXCR1) | CMKAR1 | CXCR1 | CXCR1_HUMAN | IL8RA | Interleukin-8 receptor A | Interleukin-8 receptors, CXCR1/CXCR2
Type:
Enzyme
Mol. Mass.:
39803.83
Organism:
Homo sapiens (Human)
Description:
P25024
Residue:
350
Sequence:
MSNITDPQMWDFDDLNFTGMPPADEDYSPCMLETETLNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRHLVKFVCLGCWGLSMNLSLPFFLFRQAYHPNNSSPVCYEVLGNDTAKWRMVLRILPHTFGFIVPLFVMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQESCERRNNIGRALDATEILGFLHSCLNPIIYAFIGQNFRHGFLKILAMHGLVSKEFLARHRVTSYTSSSVNVSSNL
  
Component 2
Name:
C-X-C chemokine receptor type 2
Synonyms:
C-X-C chemokine receptor type 2 (CXCR-2) | C-X-C chemokine receptor type 2 (CXCR2) | CD_antigen=CD182 | CDw128b | CXCR-2 | CXCR2 | CXCR2_HUMAN | Chemokine receptor type 2 (CXCR2) | GRO/MGSA receptor | High affinity interleukin-8 receptor B | IL-8 receptor type 2 | IL-8R B | IL8RB | Interleukin-8 receptor B
Type:
Protein
Mol. Mass.:
40767.88
Organism:
Homo sapiens (Human)
Description:
P25025
Residue:
360
Sequence:
MEDFNMESDSFEDFWKGEDLSNYSYSSTLPPFLLDAAPCEPESLEINKYFVVIIYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRYLVKFICLSIWGLSLLLALPVLLFRRTVYSSNVSPACYEDMGNNTANWRMLLRILPQSFGFIVPLLIMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQETCERRNHIDRALDATEILGILHSCLNPLIYAFIGQKFRHGLLKILAIHGLISKDSLPKDSRPSFVGSSSGHTSTTL
  
Inhibitor
Name:
BDBM50214155
Synonyms:
CHEMBL413914
Type:
Small organic molecule
Emp. Form.:
C64H91N21O19
Mol. Mass.:
1458.5366
SMILES:
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O |wU:85.88,69.72,5.5,wD:65.69,91.94,52.53,40.40,77.80,100.105,25.25,14.14,1.0,(10.92,-12.5,;11.99,-13.12,;13.32,-12.35,;13.32,-10.81,;12.26,-10.19,;14.66,-10.04,;15.99,-10.81,;17.32,-10.04,;18.66,-10.8,;18.66,-12.03,;19.73,-10.19,;14.66,-8.5,;15.99,-7.73,;17.06,-8.34,;16,-6.19,;14.66,-5.41,;14.67,-3.87,;13.34,-3.09,;13.34,-1.55,;12.01,-.78,;12.01,.45,;10.94,-1.39,;17.33,-5.42,;17.33,-3.88,;16.27,-3.26,;18.67,-3.11,;18.67,-1.57,;20.01,-.8,;20.01,.74,;21.35,1.51,;22.68,.74,;22.67,-.8,;21.34,-1.57,;20,-3.88,;20,-5.42,;18.93,-6.03,;21.06,-6.04,;11.98,-14.66,;13.05,-15.27,;10.65,-15.43,;10.65,-16.97,;9.31,-17.73,;7.98,-16.96,;6.64,-17.72,;5.31,-16.94,;5.32,-15.4,;4.25,-14.78,;6.66,-14.64,;7.99,-15.42,;11.98,-17.74,;13.05,-17.12,;11.98,-19.28,;13.31,-20.05,;13.31,-21.59,;11.97,-22.36,;11.83,-23.88,;10.32,-24.2,;9.55,-22.86,;10.59,-21.72,;14.65,-19.29,;14.65,-18.06,;15.98,-20.06,;16.11,-21.59,;17.62,-21.91,;18.39,-20.58,;17.37,-19.43,;17.68,-17.93,;16.76,-17.11,;19.15,-17.44,;19.46,-15.93,;18.31,-14.91,;16.85,-15.4,;16.6,-16.6,;15.92,-14.58,;20.92,-15.45,;21.84,-16.27,;21.23,-13.94,;22.7,-13.46,;23.84,-14.48,;23.53,-15.99,;22.36,-16.38,;24.45,-16.82,;23.01,-11.95,;22.09,-11.13,;24.47,-11.46,;24.79,-9.96,;23.63,-8.93,;22.47,-9.32,;26.25,-9.48,;27.17,-10.29,;26.56,-7.97,;28.03,-7.48,;29.17,-8.51,;28.92,-9.71,;28.34,-5.97,;27.42,-5.15,;29.8,-5.49,;31.03,-6.4,;32.28,-5.49,;31.8,-4.03,;30.26,-4.03,;29.34,-2.8,;29.82,-1.66,;28.11,-2.94,)|
Structure:
Search PDB for entries with ligand similarity: