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Name | C-C chemokine receptor type 5 |
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Species | Homo sapiens (Human) |
Gene | CCR5 |
Synonym | CD195 chemokine (C-C motif) receptor 5 (gene/pseudogene) CHEMR13 CCR5 CCR-5 [ Show all ] |
Disease | Human immunodeficiency virus infection |
Length | 352 |
Amino acid sequence | MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL |
UniProt | P51681 |
Protein Data Bank | 4mbs, 6aky, 6akx, 5uiw |
GPCR-HGmod model | P51681 |
3D structure model | This structure is from PDB ID 4mbs. |
BioLiP | BL0430746, BL0430745, BL0430742,BL0430744, BL0430741,BL0430743, BL0382816, BL0256313,BL0256315, BL0256312,BL0256314 |
Therapeutic Target Database | T72171 |
ChEMBL | CHEMBL274 |
IUPHAR | 62 |
DrugBank | BE0000911 |
Name | 78831-36-4 |
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Molecular formula | C14H12N2O2 |
IUPAC name | [9-(hydroxymethyl)-1,10-phenanthrolin-2-yl]methanol |
Molecular weight | 240.262 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 0.8 |
Synonyms | SCHEMBL5301328 (1,10-Phenanthroline-2,9-diyl)dimethanol CHEMBL2205802 [9-(hydroxymethyl)-1,10-phenanthrolin-2-yl]methanol 1,10-Phenanthroline-2,9-diyldimethanol [ Show all ] |
Inchi Key | IEPOQNOTFLXUPQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2 |
PubChem CID | 336912 |
ChEMBL | CHEMBL2205802 |
IUPHAR | N/A |
BindingDB | 50401342 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <1000000.0 nM | PMID22957890 | BindingDB,ChEMBL |
EC50 | >1000000.0 nM | PMID22957890 | ChEMBL |
IC50 | 587000.0 nM | PMID22957890 | BindingDB,ChEMBL |
IC50 | 630957.0 nM | PMID22957890 | BindingDB,ChEMBL |
Inhibition | 692.0 % | PMID22957890 | ChEMBL |
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