Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

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 RANTES-R Macrophage inflammatory protein 1-alpha receptor LD78 receptor HM145 C-C CKR-1 CC CKR1 CC-CKR-1 CCR-1 CCR1 CD191 CKR1 CMKBR1 [ 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

Ligand

Name	4,4'-Dimethoxy-2,2'-bipyridine
Molecular formula	C12H12N2O2
IUPAC name	4-methoxy-2-(4-methoxypyridin-2-yl)pyridine
Molecular weight	216.24
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.4
Synonyms	4,4'-Dimethoxy-2,2'-bipyridyl A811383 ANW-22557 D40033 KS-000002EK ZB013321 4-4'-Dimethoxy-2-2'-bipyridine, 97% ACM17217571 EOS221 SCHEMBL182529 2,2'-Bipyridine, 4,4'-dimethoxy- 4-methoxy-2-(4-methoxypyridin-2-yl)pyridine AK-63314 CTK0I3310 IMEVSAIFJKKDAP-UHFFFAOYSA-N TR-035907 4,4'-Dimethoxy-[2,2']bipyridinyl AC-20760 AX8018852 DS-15216 MolPort-000-003-159 ZINC403962 4-methoxy-2-(4-methoxy(2-pyridyl))pyridine ACMC-1C6X1 CHEMBL2205808 FT-0647788 ST24042505 AKOS015851874 D3886 KB-35464 VP14604 4-4 inverted exclamation marka-Dimethoxy-2-2 inverted exclamation marka-bipyridine AC1MBZZB BDBM50401349 DTXSID50370043 SC-65740 17217-57-1 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine AJ-22177 CS-W004762 I02-6155 ST50405823 [ Show all ]
Inchi Key	IMEVSAIFJKKDAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3
PubChem CID	2733927
ChEMBL	CHEMBL2205808
IUPHAR	N/A
BindingDB	50401349
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	10000.0 nM	PMID22957890	BindingDB,ChEMBL
FC	5.5 -	PMID22957890	ChEMBL
IC50	179000.0 nM	PMID22957890	BindingDB,ChEMBL
IC50	199526.0 nM	PMID22957890	BindingDB,ChEMBL
Inhibition	226.0 %	PMID22957890	ChEMBL
Ratio EC50	3.3 -	PMID22957890	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218