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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 | CHEMBL1688888 |
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Molecular formula | C17H13F4N5O2 |
IUPAC name | N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide |
Molecular weight | 395.318 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | BDBM50339635 SCHEMBL18841095 1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)urea TLK-19705 |
Inchi Key | WOMTXGGBILJJNX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28) |
PubChem CID | 10272003 |
ChEMBL | CHEMBL1688888 |
IUPHAR | N/A |
BindingDB | 50339635 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <10000.0 nM | PMID21341682 | BindingDB,ChEMBL |
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