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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 | CHEMBL106264 |
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Molecular formula | C33H40N2O |
IUPAC name | (2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 480.696 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 7.2 |
Synonyms | (2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-phenylphenyl)methyl]-1-piperidyl]-1-piperidyl]methanone 1,4'-Bipiperidine, 4-([1,1'-biphenyl]-4-ylmethyl)-1'-(2,6-dimethylbenzoyl)-4'-methyl- BDBM50115545 (2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone (4-Biphenyl-4-ylmethyl-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,6-dimethyl-phenyl)-methanone [ Show all ] |
Inchi Key | PUZLCPWAFDYXST-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H40N2O/c1-25-8-7-9-26(2)31(25)32(36)34-22-18-33(3,19-23-34)35-20-16-28(17-21-35)24-27-12-14-30(15-13-27)29-10-5-4-6-11-29/h4-15,28H,16-24H2,1-3H3 |
PubChem CID | 511297 |
ChEMBL | CHEMBL106264 |
IUPHAR | N/A |
BindingDB | 50115545 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 360.0 nM | PMID14521412 | BindingDB,ChEMBL |
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