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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 | CHEMBL433232 |
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Molecular formula | C29H41N2O2+ |
IUPAC name | N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2-hydroxy-2,2-diphenylacetamide |
Molecular weight | 449.659 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | CHEMBL1185795 BDBM50098631 1-Cyclooctylmethyl-4-(2-hydroxy-2,2-diphenyl-acetylamino)-1-methyl-piperidinium; iodide |
Inchi Key | FAZBIMFLHFSGHN-UHFFFAOYSA-O |
Inchi ID | InChI=1S/C29H40N2O2/c1-31(23-24-13-7-3-2-4-8-14-24)21-19-27(20-22-31)30-28(32)29(33,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h5-6,9-12,15-18,24,27,33H,2-4,7-8,13-14,19-23H2,1H3/p+1 |
PubChem CID | 10531239 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50098631 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2100.0 nM | PMID11311066 | BindingDB |
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