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Name | C-C chemokine receptor type 1 |
---|---|
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 | CHEMBL2322875 |
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Molecular formula | C18H19Cl2F3N4O2 |
IUPAC name | 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone |
Molecular weight | 451.271 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | BDBM50427065 PTHJVFQTMJMDKU-UHFFFAOYSA-N 1-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone SCHEMBL2866978 |
Inchi Key | PTHJVFQTMJMDKU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3 |
PubChem CID | 21070989 |
ChEMBL | CHEMBL2322875 |
IUPHAR | N/A |
BindingDB | 50427065 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.8 nM | PMID23374868 | ChEMBL |
IC50 | 0.8 nM | PMID23374868 | BindingDB |
IC50 | 1.5 nM | PMID23374868 | BindingDB,ChEMBL |
IC50 | 2.5 nM | PMID23374868 | BindingDB,ChEMBL |
IC50 | 3.9 nM | PMID23374868 | BindingDB,ChEMBL |
IC50 | 4.0 nM | PMID23374868 | BindingDB |
IC50 | 4.0 nM | PMID23374868 | ChEMBL |
IC50 | 4.8 nM | PMID23374868 | BindingDB,ChEMBL |
IC50 | 5.5 nM | PMID23374868 | BindingDB,ChEMBL |
IC50 | 6.0 nM | PMID23374868 | BindingDB |
IC50 | 6.0 nM | PMID23374868 | ChEMBL |
IC50 | 12.0 nM | PMID23374868 | BindingDB,ChEMBL |
IC50 | 13.0 nM | PMID23374868 | BindingDB,ChEMBL |
IC50 | 15.0 nM | PMID23374868 | BindingDB,ChEMBL |
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