You can:
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 | CHEMBL370596 |
---|---|
Molecular formula | C27H28FN3O2 |
IUPAC name | N-[3-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]naphthalen-2-yl]acetamide |
Molecular weight | 445.538 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50174706 N-(3[(E)-3-[(R)-4-(4-Fluorobenzyl)-2-methylpiperazin-1-yl]-3-oxopropenyl]-naphthalen-2-yl)-acetamide (R)-N-(3-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)naphthalen-2-yl)acetamide OKPDPHQVVCXCIO-VSRDTVRMSA-N SCHEMBL3164677 |
Inchi Key | OKPDPHQVVCXCIO-VSRDTVRMSA-N |
Inchi ID | InChI=1S/C27H28FN3O2/c1-19-17-30(18-21-7-10-25(28)11-8-21)13-14-31(19)27(33)12-9-24-15-22-5-3-4-6-23(22)16-26(24)29-20(2)32/h3-12,15-16,19H,13-14,17-18H2,1-2H3,(H,29,32)/b12-9+/t19-/m1/s1 |
PubChem CID | 10388824 |
ChEMBL | CHEMBL370596 |
IUPHAR | N/A |
BindingDB | 50174706 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 13.0 nM | PMID16198561 | BindingDB,ChEMBL |
IC50 | 80.0 nM | PMID16198561 | BindingDB,ChEMBL |
IC50 | 1500.0 nM | PMID16198561 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218