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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL247635
Molecular formula	C33H44F3N5O4
IUPAC name	N-[2-[[(2S)-1-(tert-butylamino)-3-[(2,4-dimethylphenyl)methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-(cyclohexanecarbonylamino)-5-(trifluoromethyl)benzamide
Molecular weight	631.741
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	5.4
Synonyms	BDBM50219896 SCHEMBL5119210 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-(cyclohexanecarboxamido)-5-(trifluoromethyl)benzamide
Inchi Key	AOCRHIVQXBBGQL-MHZLTWQESA-N
Inchi ID	InChI=1S/C33H44F3N5O4/c1-20-11-12-23(21(2)15-20)17-37-18-27(31(45)41-32(3,4)5)39-28(42)19-38-30(44)25-16-24(33(34,35)36)13-14-26(25)40-29(43)22-9-7-6-8-10-22/h11-16,22,27,37H,6-10,17-19H2,1-5H3,(H,38,44)(H,39,42)(H,40,43)(H,41,45)/t27-/m0/s1
PubChem CID	44442591
ChEMBL	CHEMBL247635
IUPHAR	N/A
BindingDB	50219896
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>30.0 %	PMID17720492	ChEMBL

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