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Atomistry » Chlorine » PDB 5h3g-5hi2 » 5hg7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 5h3g-5hi2 » 5hg7 » |
Chlorine in PDB 5hg7: Egfr (L858R, T790M, V948R) in Complex with 1-{(3R,4R)-3-[5-Chloro-2- (1-Methyl-1H-Pyrazol-4-Ylamino)-7H-Pyrrolo[2,3-D]Pyrimidin-4- Yloxymethyl]-4-Methoxy-Pyrrolidin-1-Yl}Propenone (Pf-06459988)Enzymatic activity of Egfr (L858R, T790M, V948R) in Complex with 1-{(3R,4R)-3-[5-Chloro-2- (1-Methyl-1H-Pyrazol-4-Ylamino)-7H-Pyrrolo[2,3-D]Pyrimidin-4- Yloxymethyl]-4-Methoxy-Pyrrolidin-1-Yl}Propenone (Pf-06459988)
All present enzymatic activity of Egfr (L858R, T790M, V948R) in Complex with 1-{(3R,4R)-3-[5-Chloro-2- (1-Methyl-1H-Pyrazol-4-Ylamino)-7H-Pyrrolo[2,3-D]Pyrimidin-4- Yloxymethyl]-4-Methoxy-Pyrrolidin-1-Yl}Propenone (Pf-06459988):
2.7.10.1; Protein crystallography data
The structure of Egfr (L858R, T790M, V948R) in Complex with 1-{(3R,4R)-3-[5-Chloro-2- (1-Methyl-1H-Pyrazol-4-Ylamino)-7H-Pyrrolo[2,3-D]Pyrimidin-4- Yloxymethyl]-4-Methoxy-Pyrrolidin-1-Yl}Propenone (Pf-06459988), PDB code: 5hg7
was solved by
K.S.Gajiwala,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Egfr (L858R, T790M, V948R) in Complex with 1-{(3R,4R)-3-[5-Chloro-2- (1-Methyl-1H-Pyrazol-4-Ylamino)-7H-Pyrrolo[2,3-D]Pyrimidin-4- Yloxymethyl]-4-Methoxy-Pyrrolidin-1-Yl}Propenone (Pf-06459988)
(pdb code 5hg7). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Egfr (L858R, T790M, V948R) in Complex with 1-{(3R,4R)-3-[5-Chloro-2- (1-Methyl-1H-Pyrazol-4-Ylamino)-7H-Pyrrolo[2,3-D]Pyrimidin-4- Yloxymethyl]-4-Methoxy-Pyrrolidin-1-Yl}Propenone (Pf-06459988), PDB code: 5hg7: Chlorine binding site 1 out of 1 in 5hg7Go back to Chlorine Binding Sites List in 5hg7
Chlorine binding site 1 out
of 1 in the Egfr (L858R, T790M, V948R) in Complex with 1-{(3R,4R)-3-[5-Chloro-2- (1-Methyl-1H-Pyrazol-4-Ylamino)-7H-Pyrrolo[2,3-D]Pyrimidin-4- Yloxymethyl]-4-Methoxy-Pyrrolidin-1-Yl}Propenone (Pf-06459988)
Mono view Stereo pair view
Reference:
H.Cheng,
S.K.Nair,
B.W.Murray,
C.Almaden,
S.Bailey,
S.Baxi,
D.Behenna,
S.Cho-Schultz,
D.Dalvie,
D.M.Dinh,
M.P.Edwards,
J.L.Feng,
R.A.Ferre,
K.S.Gajiwala,
M.D.Hemkens,
A.Jackson-Fisher,
M.Jalaie,
T.O.Johnson,
R.S.Kania,
S.Kephart,
J.Lafontaine,
B.Lunney,
K.K.Liu,
Z.Liu,
J.Matthews,
A.Nagata,
S.Niessen,
M.A.Ornelas,
S.T.Orr,
M.Pairish,
S.Planken,
S.Ren,
D.Richter,
K.Ryan,
N.Sach,
H.Shen,
T.Smeal,
J.Solowiej,
S.Sutton,
K.Tran,
E.Tseng,
W.Vernier,
M.Walls,
S.Wang,
S.L.Weinrich,
S.Xin,
H.Xu,
M.J.Yin,
M.Zientek,
R.Zhou,
J.C.Kath.
Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-Methyl-1H-Pyrazol-4-Yl) Amino]-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl}Oxy) Methyl]-4-Methoxypyrrolidin-1-Yl}Prop-2-En-1-One (Pf-06459988), A Potent, Wt Sparing, Irreversible Inhibitor of T790M-Containing Egfr Mutants. J.Med.Chem. V. 59 2005 2016.
Page generated: Sat Dec 12 11:48:26 2020
ISSN: ISSN 0022-2623 PubMed: 26756222 DOI: 10.1021/ACS.JMEDCHEM.5B01633 |
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