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TargetC-C chemokine receptor type 5
LigandBDBM50331728
Substrate/Competitorn/a
Meas. Tech.ChEMBL_687885 (CHEMBL1291449)
IC50>3000±n/a nM
Citation Xue, CBWang, AMeloni, DZhang, KKong, LFeng, HGlenn, JHuang, TZhang, YCao, GAnand, RZheng, CXia, MHan, QRobinson, DJStorace, LShao, LLi, MBrodmerkel, CMCovington, MScherle, PDiamond, SYeleswaram, SVaddi, KNewton, RHollis, GFriedman, SMetcalf, B Discovery of INCB3344, a potent, selective and orally bioavailable antagonist of human and murine CCR2. Bioorg Med Chem Lett20:7473-8 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
C-C chemokine receptor type 5
Name:C-C chemokine receptor type 5
Synonyms:C-C CKR-5 | CC-CKR-5 | CCR-5 | CCR5_MOUSE | CD_antigen=CD195 | Ccr5 | Cmkbr5 | MIP-1 alpha receptor
Type:PROTEIN
Mol. Mass.:40803.93
Organism:Mus musculus
Description:ChEMBL_49996
Residue:354
Sequence:
MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISC
KKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFF
IILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTC
SPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIF
AIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYA
FVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL
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  Blast E-value cutoff:
BDBM50331728
n/a
NameBDBM50331728
Synonyms:CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1,3]dioxol-5-yl)-4-hydroxycyclohexyl)-4-ethoxypyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
TypeSmall organic molecule
Emp. Form.C29H34F3N3O6
Mol. Mass.577.592
SMILESCCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1 |r,wU:25.26,3.2,wD:7.8,28.30,(30.12,-51.02,;28.87,-50.12,;29.03,-48.59,;27.78,-47.69,;26.31,-48.17,;25.41,-46.92,;26.31,-45.68,;27.77,-46.15,;29.1,-45.38,;30.43,-46.15,;30.43,-47.69,;31.77,-45.38,;33.1,-46.15,;34.43,-45.38,;34.43,-43.84,;35.77,-46.15,;37.1,-45.38,;38.43,-46.15,;38.44,-47.7,;37.1,-48.47,;35.77,-47.7,;37.1,-50.01,;35.77,-50.78,;38.43,-50.78,;37.08,-51.54,;23.87,-46.93,;23.1,-48.26,;21.55,-48.26,;20.78,-46.92,;20.38,-45.43,;21.56,-45.59,;23.09,-45.59,;19.25,-46.92,;18.48,-48.25,;16.95,-48.25,;16.17,-46.91,;14.67,-46.59,;14.51,-45.06,;15.92,-44.44,;16.94,-45.58,;18.48,-45.58,)|
Structure
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