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Name | C-C chemokine receptor type 1 |
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Species | Homo sapiens (Human) |
Gene | CCR1 |
Synonym | macrophage inflammatory protein-1 alpha receptor MIP-1alpha-R MIP-1alpha/RANTES MIP-1alphaR MIP1aR [ Show all ] |
Disease | Autoimmune diabetes Rheumatoid arthritis Chronic obstructive pulmonary disease |
Length | 355 |
Amino acid sequence | METPNTTEDYDTTTEFDYGDATPCQKVNERAFGAQLLPPLYSLVFVIGLVGNILVVLVLVQYKRLKNMTSIYLLNLAISDLLFLFTLPFWIDYKLKDDWVFGDAMCKILSGFYYTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIIIWALAILASMPGLYFSKTQWEFTHHTCSLHFPHESLREWKLFQALKLNLFGLVLPLLVMIICYTGIIKILLRRPNEKKSKAVRLIFVIMIIFFLFWTPYNLTILISVFQDFLFTHECEQSRHLDLAVQVTEVIAYTHCCVNPVIYAFVGERFRKYLRQLFHRRVAVHLVKWLPFLSVDRLERVSSTSPSTGEHELSAGF |
UniProt | P32246 |
Protein Data Bank | N/A |
GPCR-HGmod model | P32246 |
3D structure model | This predicted structure model is from GPCR-EXP P32246. |
BioLiP | N/A |
Therapeutic Target Database | T16016 |
ChEMBL | CHEMBL2413 |
IUPHAR | 58 |
DrugBank | N/A |
Name | CHEMBL141713 |
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Molecular formula | C29H32N2O2 |
IUPAC name | 5-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-2,2-diphenylpentanenitrile |
Molecular weight | 440.587 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | 2,2-Diphenyl-5-[4-hydroxy-4-(4-methoxyphenyl)piperidino]valeronitrile BDBM50027205 5-[4-Hydroxy-4-(4-methoxy-phenyl)-piperidin-1-yl]-2,2-diphenyl-pentanenitrile |
Inchi Key | FFRLOIAKURWWBT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H32N2O2/c1-33-27-15-13-26(14-16-27)29(32)18-21-31(22-19-29)20-8-17-28(23-30,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-16,32H,8,17-22H2,1H3 |
PubChem CID | 10670785 |
ChEMBL | CHEMBL141713 |
IUPHAR | N/A |
BindingDB | 50027205 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 347.0 nM | PMID10579830 | BindingDB,ChEMBL |
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