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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 | CHEMBL317476 |
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Molecular formula | C28H35F3N2O2 |
IUPAC name | (2,6-dimethylphenyl)-[4-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 488.595 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 6.8 |
Synonyms | (2,6-Dimethyl-phenyl)-[4''-methyl-4-(4-trifluoromethoxy-benzyl)-[1,4'']bipiperidinyl-1''-yl]-methanone 1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]- BDBM50115546 (2,6-dimethylphenyl)-[4-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperidyl]-1-piperidyl]methanone (2,6-dimethylphenyl)-[4-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]piperidin-1-yl]methanone [ Show all ] |
Inchi Key | XRUMZMCHUHDEQQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H35F3N2O2/c1-20-5-4-6-21(2)25(20)26(34)32-17-13-27(3,14-18-32)33-15-11-23(12-16-33)19-22-7-9-24(10-8-22)35-28(29,30)31/h4-10,23H,11-19H2,1-3H3 |
PubChem CID | 511305 |
ChEMBL | CHEMBL317476 |
IUPHAR | N/A |
BindingDB | 50115546 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 55.0 nM | PMID14521412 | BindingDB,ChEMBL |
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