Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | C-X-C chemokine receptor type 4 | ||
Ligand | BDBM50561917 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2076297 (CHEMBL4731831) | ||
IC50 | 53000±n/a nM | ||
Citation | Ma, H; Wang, H; Li, M; Barreto-de-Souza, V; Reinecke, BA; Gunta, R; Zheng, Y; Kang, G; Nassehi, N; Zhang, H; An, J; Selley, DE; Hauser, KF; Zhang, Y Bivalent Ligand Aiming Putative Mu Opioid Receptor and Chemokine Receptor CXCR4 Dimers in Opioid Enhanced HIV-1 Entry. ACS Med Chem Lett11:2318-2324 (2020) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
C-X-C chemokine receptor type 4 | |||
Name: | C-X-C chemokine receptor type 4 | ||
Synonyms: | C-X-C chemokine receptor type 4 | C-X-C chemokine receptor type 4 (CXCR4) | CD_antigen=CD184 | CXC-R4 | CXCR-4 | CXCR4 | CXCR4_HUMAN | FB22 | Fusin | HM89 | LCR1 | LESTR | Leukocyte-derived seven transmembrane domain receptor | NPYRL | SDF-1 receptor | Stromal cell-derived factor 1 receptor | ||
Type: | Enzyme | ||
Mol. Mass.: | 39754.61 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P61073 | ||
Residue: | 352 | ||
Sequence: |
| ||
BDBM50561917 | |||
n/a | |||
Name | BDBM50561917 | ||
Synonyms: | CHEMBL4789939 | ||
Type | Small organic molecule | ||
Emp. Form. | C35H58N8O6S2 | ||
Mol. Mass. | 751.015 | ||
SMILES | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 |r,wU:27.30,wD:24.23,t:43,46,(47.96,-8.38,;49.3,-9.15,;50.63,-8.38,;50.63,-6.84,;51.96,-9.15,;53.3,-8.38,;54.63,-9.15,;55.96,-8.38,;55.96,-6.84,;57.3,-9.15,;58.63,-8.38,;59.97,-9.15,;61.3,-8.38,;62.63,-9.15,;63.97,-8.38,;65.3,-9.15,;65.3,-10.69,;66.63,-8.38,;67.97,-9.15,;69.3,-8.38,;70.64,-9.15,;70.64,-10.69,;71.97,-8.38,;73.3,-9.15,;74.64,-8.38,;75.97,-9.15,;77.3,-8.39,;77.31,-6.85,;75.97,-6.07,;74.63,-6.84,;78.64,-6.08,;79.97,-6.86,;79.97,-8.4,;81.3,-9.17,;81.28,-10.71,;82.61,-11.49,;83.95,-10.73,;83.96,-9.19,;82.63,-8.4,;81.31,-6.09,;82.64,-6.87,;83.98,-6.1,;85.38,-6.74,;86.41,-5.6,;85.65,-4.26,;85.82,-2.73,;84.41,-2.09,;83.32,-1,;84.81,-.59,;83.38,-3.24,;84.14,-4.57,)| | ||
Structure |