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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 | CHEMBL20532 |
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Molecular formula | C21H21Cl2N3OS2 |
IUPAC name | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide |
Molecular weight | 466.439 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.9 |
Synonyms | BDBM50099480 N-[1-(3,4-Dichlorobenzyl)-4-piperidinyl](2-benzothiazolylthio)acetamide 2-(Benzothiazol-2-ylsulfanyl)-N-[1-(3,4-dichloro-benzyl)-piperidin-4-yl]-acetamide SCHEMBL18840726 |
Inchi Key | BFHKONATEMTJLB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H21Cl2N3OS2/c22-16-6-5-14(11-17(16)23)12-26-9-7-15(8-10-26)24-20(27)13-28-21-25-18-3-1-2-4-19(18)29-21/h1-6,11,15H,7-10,12-13H2,(H,24,27) |
PubChem CID | 11037958 |
ChEMBL | CHEMBL20532 |
IUPHAR | N/A |
BindingDB | 50099480 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 450.0 nM | PMID11354381, PMID22931505 | BindingDB,ChEMBL |
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