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TargetC-X-C chemokine receptor type 4
LigandBDBM50553072
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2076296 (CHEMBL4731830)
IC50 17±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:
MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVI
LVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNL
YSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEA
DDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKT
TVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPI
LYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
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  Blast E-value cutoff:
BDBM50553072
n/a
NameBDBM50553072
Synonyms:CHEMBL4750948
TypeSmall organic molecule
Emp. Form.C56H83N9O9S2
Mol. Mass.1090.443
SMILES[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12)ccc3O |r,wU:50.58,21.26,1.0,17.21,16.16,wD:47.51,7.7,t:71,74,THB:10:9:17:6.5.4,(26.91,-21.31,;25.2,-21.36,;26.16,-22.91,;25.28,-24.36,;23.97,-23.66,;22.67,-24.43,;21.33,-23.73,;21.29,-22.25,;20.49,-20.94,;19.77,-22.25,;18.4,-21.52,;18.34,-20,;19.04,-18.64,;17.52,-18.7,;20.76,-23.01,;22.63,-22.95,;23.93,-22.13,;22.59,-21.41,;21.22,-20.68,;22.54,-19.88,;23.84,-19.08,;25.18,-19.83,;26.5,-19.03,;27.85,-19.78,;27.88,-21.32,;29.17,-18.98,;30.52,-19.72,;31.84,-18.93,;33.19,-19.67,;33.22,-21.21,;34.51,-18.87,;35.86,-19.61,;37.18,-18.82,;38.53,-19.56,;39.85,-18.76,;41.2,-19.5,;42.51,-18.71,;43.86,-19.46,;45.18,-18.66,;45.15,-17.12,;46.53,-19.4,;47.85,-18.61,;49.2,-19.35,;50.52,-18.55,;50.49,-17.01,;51.87,-19.29,;53.19,-18.5,;54.54,-19.24,;54.56,-20.78,;55.91,-21.52,;57.23,-20.73,;57.2,-19.19,;55.85,-18.43,;58.58,-21.48,;59.9,-20.68,;61.25,-21.43,;61.27,-22.97,;59.95,-23.76,;59.97,-25.29,;61.31,-26.05,;62.64,-25.26,;62.62,-23.71,;59.87,-19.14,;61.19,-18.35,;61.17,-16.81,;62.4,-15.88,;61.9,-14.42,;60.35,-14.45,;59.09,-13.57,;57.87,-14.49,;56.37,-14.89,;56.78,-13.4,;58.37,-15.95,;59.9,-15.92,;22.71,-25.96,;24.05,-26.69,;25.32,-25.88,;26.7,-26.63,)|
Structure
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