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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 | CHEMBL234295 |
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Molecular formula | C30H35ClFN5O5 |
IUPAC name | 3-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]anilino]-4-(2-morpholin-4-ylethylamino)cyclobut-3-ene-1,2-dione |
Molecular weight | 600.088 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM50210972 (R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(2-morpholinoethylamino)cyclobut-3-ene-1,2-dione |
Inchi Key | PDPPVAWOMSYKMX-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C30H35ClFN5O5/c1-20-17-36(18-21-2-5-23(32)6-3-21)10-11-37(20)26(38)19-42-25-7-4-22(31)16-24(25)34-28-27(29(39)30(28)40)33-8-9-35-12-14-41-15-13-35/h2-7,16,20,33-34H,8-15,17-19H2,1H3/t20-/m1/s1 |
PubChem CID | 44430752 |
ChEMBL | CHEMBL234295 |
IUPHAR | N/A |
BindingDB | 50210972 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 12.0 nM | PMID17446072 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218