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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.
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.
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GPCR

Name	C-C chemokine receptor type 2
Species	Mus musculus (Mouse)
Gene	Ccr2
Synonym	JE/FIC receptor CKR2 chemokine receptor CCR2 chemokine (C-C motif) receptor 2 CD192 CCR2B CCR2A CCR2 CCR-2 CC-CKR-2 CC CKR2 C-C CKR-2 MCP-1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	373
Amino acid sequence	MEDNNMLPQFIHGILSTSHSLFTRSIQELDEGATTPYDYDDGEPCHKTSVKQIGAWILPPLYSLVFIFGFVGNMLVIIILIGCKKLKSMTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVITSVVTWVVAVFASLPGIIFTKSKQDDHHYTCGPYFTQLWKNFQTIMRNILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLFLTTFQESLGMSNCVIDKHLDQAMQVTETLGMTHCCINPVIYAFVGEKFRRYLSIFFRKHIAKRLCKQCPVFYRETADRVSSTFTPSTGEQEVSVGL
UniProt	P51683
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5412
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL438128
Molecular formula	C38H36F6N4O2S
IUPAC name	N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-2-[2-[(2-phenylacetyl)amino]-1,3-thiazol-4-yl]butanamide
Molecular weight	726.782
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	8.2
Synonyms	BDBM50198116 N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-2-[2-(2-phenylacetamido)-1,3-thiazol-4-yl]butanamide
Inchi Key	UXWASFWFYFPAIK-ZDOBVXEZSA-N
Inchi ID	InChI=1S/C38H36F6N4O2S/c1-24-22-48(16-14-36(24)13-11-27-9-5-6-10-31(27)36)15-12-30(32-23-51-35(46-32)47-33(49)19-25-7-3-2-4-8-25)34(50)45-21-26-17-28(37(39,40)41)20-29(18-26)38(42,43)44/h2-11,13,17-18,20,23-24,30H,12,14-16,19,21-22H2,1H3,(H,45,50)(H,46,47,49)/t24-,30?,36+/m0/s1
PubChem CID	44425317
ChEMBL	CHEMBL438128
IUPHAR	N/A
BindingDB	50198116
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
IC50	165.0 nM	PMID17092717	BindingDB,ChEMBL

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