Chlorine in PDB, part 500 (files: 19961-20000),
PDB 7fzm-7g2l
Experimental structures of coordination spheres of Chlorine (Cl) in bioorganic
molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius
around Chlorine atoms. PDB files: 19961-20000 (PDB 7fzm-7g2l).
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7fzm (Cl: 2) - Crystal Structure of Human FABP4 in Complex with N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide
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7fzp (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 6-[(4-Chlorophenyl) Methylsulfanylmethyl]-2-Sulfanylidene-1H-Pyrimidin-4-One
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7fzs (Cl: 2) - Crystal Structure of Human FABP4 in Complex with 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic Acid
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7fzt (Cl: 2) - Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-1-Carboxylic Acid
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7fzv (Cl: 4) - Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One
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7fzx (Cl: 2) - Crystal Structure of Human FABP4 in Complex with (2S)-6-(4- Chlorophenoxy)-2-(4-Methylphenoxy)Hexanoic Acid
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7fzy (Cl: 2) - Crystal Structure of Human FABP4 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Yl-3-(1H-Tetrazol-5-Yl)Quinoline
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7fzz (Cl: 4) - Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide
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7g01 (Cl: 3) - Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid
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7g04 (Cl: 2) - Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid
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7g05 (Cl: 2) - Crystal Structure of Human FABP4 in Complex with 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol
Other atoms:
F (6);
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7g06 (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 5-(Chloromethyl)-2- Phenyl-4H-[1,2,4]Triazolo[1,5-A]Pyrimidin-7-One
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7g08 (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 2-(3-Chloro-2- Methylanilino)Benzoic Acid
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7g0a (Cl: 2) - Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One
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7g0c (Cl: 2) - Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 2-[2,3-Bis[(2-Chlorophenyl)Methoxy]Phenyl]-2- Methoxyacetic Acid
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7g0e (Cl: 1) - Crystal Structure of Human FABP5 in Complex with 2-[(3-Ethoxycarbonyl- 4,5,6,7-Tetrahydro-1-Benzothiophen-2-Yl)Carbamoyl]Cyclopentene-1- Carboxylic Acid
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7g0j (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 2-[3-(4-Chloro-2- Phenoxyphenyl)Phenyl]Acetic Acid
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7g0k (Cl: 2) - Crystal Structure of Human FABP4 in Complex with (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-Carboxylic Acid
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7g0q (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 4-[3-(4- Chlorophenyl)-1,2,4-Oxadiazol-5-Yl]Butanoic Acid
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7g0t (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid
Other atoms:
F (3);
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7g0u (Cl: 2) - Crystal Structure of Human FABP4 in Complex with 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-2-One
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7g0w (Cl: 1) - Crystal Structure of Apo Human FABP1I Monoclinic Form II, Twinned with Beta=90DEG
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7g11 (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 2,4,6- Triisopropylbenzenesulfonic Acid
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7g15 (Cl: 2) - Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorophenoxy) Methyl]Cyclohexane-1-Carboxylic Acid
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7g18 (Cl: 6) - Crystal Structure of Human FABP4 in Complex with 4-(4-Chloro-3- Fluorophenoxy)-2-(3,4-Dichlorophenyl)-2-Methylbutanoic Acid
Other atoms:
F (2);
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7g1b (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 2-[1-[(3- Chlorophenyl)Methyl]Indol-2-Yl]Cyclopropane-1-Carboxylic Acid
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7g1i (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 5-(4-Chlorophenyl)-6- (2,2,2-Trifluoroethoxy)-2-(Trifluoromethyl)Pyridine-3-Carboxylic Acid
Other atoms:
F (6);
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7g1o (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 4-Chloro-2,5- Dimethyl-N-(2-Methylpyrazol-3-Yl)Benzenesulfonamide
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7g1p (Cl: 1) - Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 6-Chloro-5-Fluoro-1H-Benzimidazole
Other atoms:
F (1);
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7g1s (Cl: 2) - Crystal Structure of Human FABP4 in Complex with 3-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione
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7g1u (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 2-[[5-Chloro-2-(3- Methyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- Carboxylic Acid
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7g1w (Cl: 2) - Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 5-(3,5-Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid
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7g21 (Cl: 1) - Crystal Structure of Human FABP4 in Complex with 4-Hydroxy-2-[(E)-2- (2-Phenylcyclohexyl)Ethenyl]-2,3-Dihydropyran-6-One
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7g2e (Cl: 2) - Crystal Structure of Rat Autotaxin in Complex with 2-(3,4- Dichlorophenyl)-1-[4-[(4-Fluorophenyl)Methyl]-7,8-Dihydro-5H- Pyrido[4,3-D]Pyrimidin-6-Yl]Ethanone, I.E. Smiles FC1CCC(CC1) CC1C2CN(C(=O)CC3CCC(Cl)C(Cl)C3)CCC2NCN1 with IC50=0.795943 Microm
Other atoms:
F (1);
Zn (1);
Ca (2);
Na (2);
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7g2f (Cl: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazin-1-Yl]Sulfonylbenzenesulfonamide, I.E. Smiles Fc(C1CC(C(Ccc(=O)N2CCN(CC2)S(=O)(=O)C2CCC(S(=O)(=O)N)CC2)CC1) CN1N=Nc(=N1)C)(F)F with IC50=0.0525995 Microm
Other atoms:
F (3);
Ca (1);
K (1);
Zn (1);
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7g2g (Cl: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Fluoro-4-[[4-[3- [2-[(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazin-1-Yl]Methyl]Benzenesulfonamide, I.E. Smiles N1(Ccn(CC1)CC1C(Cc(S(=O)(=O)N)CC1)F)C(=O) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0203648 Microm
Other atoms:
F (4);
Na (1);
Ca (2);
K (1);
Zn (1);
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7g2i (Cl: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Fluoro-4-[2-[1- [3-[2-[(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperidin-4-Yl]Ethylsulfonyl]Benzenesulfonamide, I.E. Smiles C1(S(=O)(=O)Cc[C@H]2CCN(C(=O)CCC3C(CN4N=C(C)N=N4)Cc(C(F) (F)F)CC3)CC2)Ccc(S(=O)(=O)N)CC1F with IC50=0.00184303 Microm
Other atoms:
F (4);
Ca (2);
Na (2);
Zn (1);
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7g2j (Cl: 1) - Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-5-(5- Cyclopropyloxy-2-Fluorophenyl)-4-(1H-Pyrazolo[3,4-B]Pyridin-3- Ylmethoxy)Benzonitrile, I.E. Smiles C1C(C1)OC1CCC(F)C(C1)C1CC(C#N) C(Cl)CC1OCC1=NNC2NCCCC12 with IC50=0.0201566 Microm
Other atoms:
Na (2);
Ca (2);
Zn (1);
F (1);
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7g2k (Cl: 1) - Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-5-(5- Cyclopropyloxy-2-Fluorophenyl)-4-[(4-Methyl-5-Oxo-1H-1,2,4-Triazol-3- Yl)Methoxy]Benzonitrile, I.E. Smiles C1C(Ccc(C1C1CC(C(Cl) CC1OCC1=Nnc(=O)N1C)C#N)F)OC1CC1 with IC50=0.0091413 Microm
Other atoms:
Ca (2);
Na (2);
Zn (1);
F (1);
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7g2l (Cl: 1) - Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-5-(5- Cyclopropyloxy-2-Fluorophenyl)-4-(1H-Pyrazolo[3,4-C]Pyridin-3- Ylmethoxy)Benzonitrile, I.E. Smiles C1C(C1)OC1CCC(F)C(C1)C1CC(C#N) C(Cl)CC1OCC1=NNC2CNCCC12 with IC50=0.787674 Microm
Other atoms:
Zn (1);
Ca (2);
Na (2);
F (1);
Page generated: Tue Feb 25 09:03:16 2025
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