Author results

1Q1M
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A HIGHLY EFFICIENT APPROACH TO A SELECTIVE AND CELL ACTIVE PTP1B INHIBITORS
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID
Authors:Liu, G., Xin, Z., Pei, Z., Hajduk, P.J., Abad-Zapatero, C., Hutchins, C.W., Zhao, H., Lubben, T.H., Ballaron, S.J., Haasch, D.L., Kaszubska, W., Rondinone, C.M., Trevillyan, J.M., Jirousek, M.R.
Deposit date:2003-07-22
Release date:2003-09-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46, 2003
1PYN
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DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID
Authors:Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Zhonghua, P., Lubben, T., Trevillyan, J.M., Stashko, M., Ballaron, S.J., Liang, H.
Deposit date:2003-07-09
Release date:2003-09-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg.Med.Chem.Lett., 13, 2003
1ONY
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OXALYL-ARYL-AMINO BENZOIC ACID INHIBITORS OF PTP1B, COMPOUND 17
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
Authors:Liu, G., Szczepankiewicz, B.G., Pei, Z., Janowich, D.A., Xin, Z., Hadjuk, P.J., Abad-Zapatero, C., Liang, H., Hutchins, C.W., Fesik, S.W., Ballaron, S.J., Stashko, M.A., Lubben, T., Mika, A.K., Zinker, B.A., Trevillyan, J.M., Jirousek, M.R.
Deposit date:2003-03-02
Release date:2003-05-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
1ONZ
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OXALYL-ARYL-AMINO BENZOIC ACID INHIBITORS OF PTP1B, COMPOUND 8B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID
Authors:Liu, G., Szczepankiewicz, B.G., Pei, Z., Janowich, D.A., Xin, Z., Hadjuk, P.J., Abad-Zapatero, C., Liang, H., Hutchins, C.W., Fesik, S.W., Ballaron, S.J., Stashko, M.A., Lubben, T., Mika, A.K., Zinker, B.A., Trevillyan, J.M., Jirousek, M.R.
Deposit date:2003-03-02
Release date:2003-05-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
1NL9
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POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR COMPOUND 12 USING A LINKED-FRAGMENT STRATEGY
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID
Authors:Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Pei, Z., Xin, Z., Lubben, T., Trevillyan, J.M., Stashko, M.A., Ballaron, S.J., Liang, H., Huang, F., Hutchins, C.W., Fesik, S.W., Jirousek, M.R.
Deposit date:2003-01-06
Release date:2003-04-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NNY
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POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR COMPOUND 23 USING A LINKED-FRAGMENT STRATEGY
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID
Authors:Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Pei, Z., Xin, Z., Lubben, T., Trevillyan, J.M., Stashko, M.A., Ballaron, S.J., Liang, H., Huang, F., Hutchins, C.W., Fesik, S.W., Jirousek, M.R.
Deposit date:2003-01-14
Release date:2003-04-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NO6
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POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR COMPOUND 5 USING A LINKED-FRAGMENT STRATEGY
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID
Authors:Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Pei, Z., Xin, Z., Lubben, T., Trevillyan, J.M., Stashko, M.A., Ballaron, S.J., Liang, H., Huang, F., Hutchins, C.W., Fesik, S.W., Jirousek, M.R.
Deposit date:2003-01-15
Release date:2003-04-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NZ7
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POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, COMPLEXED WITH COMPOUND 19.
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AMINO]-BENZOIC ACID
Authors:Xin, Z., Oost, T.K., Abad-Zapatero, C., Hajduk, P.J., Pei, Z., Szczepankiewicz, B.G., Hutchins, C.W., Ballaron, S.J., Stashko, M.A., Lubben, T., Trevillyan, J.M., Jirousek, M.R., Liu, G.
Deposit date:2003-02-16
Release date:2003-05-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
1PH0
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NON-CARBOXYLIC ACID-CONTAINING INHIBITOR OF PTP1B TARGETING THE SECOND PHOSPHOTYROSINE SITE
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
Authors:Liu, G., Xin, Z., Liang, H., Abad-Zapatero, C., Hajduk, P., Janowick, D., Szczepankiewicz, B., Pei, Z., Hutchins, C.W., Ballaron, S.J.
Deposit date:2003-05-29
Release date:2003-07-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands.
J.Med.Chem., 46, 2003
1QXK
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MONOACID-BASED, CELL PERMEABLE, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
Authors:Xin, Z., Liu, G., Abad-Zapatero, C., Pei, Z., Szczepankiewick, B.G., Li, X., Zhang, T., Hutchins, C.W., Hajduk, P.J., Ballaron, S.J., Stashko, M.A., Lubben, T.H., Trevillyan, J.M., Jirousek, M.R.
Deposit date:2003-09-08
Release date:2003-10-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a Monoacid-Based, Cell Permeable, Selective Inhibitor of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
1XBO
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PTP1B COMPLEXED WITH ISOXAZOLE CARBOXYLIC ACID
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
Authors:Zhao, H., Liu, G., Xin, Z., Serby, M., Pei, Z., Szczepankiewicz, B.G., Hajduk, P.J., Abad-Zapatero, C., Hutchins, C.W., Lubben, T.H., Ballaron, S.J., Hassach, D.L., Kaszubska, W., Rondinone, C.M., Trevillyan, J.M., Jirousek, M.R.
Deposit date:2004-08-31
Release date:2004-10-19
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
2I3Z
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RAT DPP-IV WITH XANTHINE MIMETIC INHIBITOR #7
Descriptor:Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV), 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM
Authors:Kurukulasuriya, R., Rohde, J.J., Szczepankiewicz, B.G., Basha, F., Lai, C., Winn, M., Stewart, K.D., Longenecker, K.L., Lubben, T.W., Ballaron, S.J., Sham, H.L., VonGeldern, T.W.
Deposit date:2006-08-21
Release date:2006-12-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2OQI
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HUMAN DIPEPTIDYL PEPTIDASE IV (DPP4) WITH PIPERIDINONE-CONSTRAINED PHENETHYLAMINE
Descriptor:Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP), (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE
Authors:Pei, Z., Li, X., von Geldern, T.W., Longenecker, K.L., Pireh, D., Stewart, K.D., Backes, B.J., Lai, C., Lubben, T.H., Ballaron, S.J., Beno, D.W., Kempf-Grote, A.J., Sham, H.L., Trevillyan, J.M.
Deposit date:2007-01-31
Release date:2007-04-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2I03
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE 4 (DPP IV) WITH POTENT ALKYNYL CYANOPYRROLIDINE (ABT-279)
Descriptor:Dipeptidyl peptidase 4, 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
Authors:Longenecker, K.L., Madar, D.J.
Deposit date:2006-08-09
Release date:2006-12-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes.
J.Med.Chem., 49, 2006
2G5P
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) COMPLEXED WITH CYANOPYRROLIDINE (C5-PRO-PRO) INHIBITOR 21AC
Descriptor:Dipeptidyl peptidase 4, 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID
Authors:Longenecker, K.L., Fry, E.H., Lake, M.R., Solomon, L.R., Pei, Z., Li, X.
Deposit date:2006-02-23
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2G5T
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) COMPLEXED WITH CYANOPYRROLIDINE (C5-PRO-PRO) INHIBITOR 21AG
Descriptor:Dipeptidyl peptidase 4, 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID
Authors:Longenecker, K.L., Fry, E.H., Lake, M.R., Solomon, L.R., Pei, Z., Li, X.
Deposit date:2006-02-23
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2G63
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) COMPLEXED WITH CYANOPYRROLIDINE (C5-PRO-PRO) INHIBITOR 24B
Descriptor:Dipeptidyl peptidase 4, METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
Authors:Longenecker, K.L., Fry, E.H., Lake, M.R., Solomon, L.R., Pei, Z., Li, X.
Deposit date:2006-02-24
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2GBC
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NATIVE DPP-IV (CD26) FROM RAT
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
Authors:Longenecker, K.L., Jakob, C.G., Fry, E.H., Wilk, S.
Deposit date:2006-03-10
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2GBF
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RAT DPP-IV WITH ALKYNYL CYANOPYRROLIDINE #1
Descriptor:Dipeptidyl peptidase 4, (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE
Authors:Longenecker, K.L., Jakob, C.G., Fry, E.H., Wilk, S.
Deposit date:2006-03-10
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2GBG
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RAT DPP-IV WITH ALKYNYL CYANOPYRROLIDINE #2
Descriptor:Dipeptidyl peptidase 4, SULFATE ION, (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE
Authors:Longenecker, K.L., Jakob, C.G., Fry, E.H., Wilk, S.
Deposit date:2006-03-10
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2GBI
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RAT DPP-IV WITH XANTHINE INHIBITOR 4
Descriptor:Dipeptidyl peptidase 4, 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
Authors:Longenecker, K.L., Jakob, C.G., Fry, E.H., Wilk, S.
Deposit date:2006-03-10
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2I78
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPP IV) COMPLEXED WITH ABT-341, A CYCLOHEXENE-CONSTRAINED PHENETHYLAMINE INHIBITOR
Descriptor:Dipeptidyl peptidase IV, (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE
Authors:Longenecker, K.L., Pei, Z., Li, X.
Deposit date:2006-08-30
Release date:2007-10-09
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Cyclohexene-constrained Phenethylamine ABT-341, a Highly Potent, Selective, Orally Bioavailable, Safe and Potential Next-generation Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
To be Published
2OAE
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CRYSTAL STRUCTURE OF RAT DIPEPTIDYL PEPTIDASE (DPPIV) WITH THIAZOLE-BASED PEPTIDE MIMETIC #31
Descriptor:Dipeptidyl peptidase 4, SULFATE ION, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE
Authors:Longenecker, K.L., Shuai, Q., Patel, J., Wiedeman, P.
Deposit date:2006-12-15
Release date:2007-02-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
2OAG
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) WITH PYRROLIDINE-CONSTRAINED PHENETHYLAMINE 29G
Descriptor:Dipeptidyl peptidase 4, (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE
Authors:Backes, B.J., Longenecker, K.L., Hamilton, G.L., Stewart, K.D., Lai, C., Kopecka, H.
Deposit date:2006-12-15
Release date:2007-09-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
2OQV
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HUMAN DIPEPTIDYL PEPTIDASE IV (DPP4) WITH PIPERIDINE-CONSTRAINED PHENETHYLAMINE
Descriptor:Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV), (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE
Authors:Pei, Z., Li, X., von Geldern, T.W., Longenecker, K.L., Pireh, D., Stewart, K.D.
Deposit date:2007-02-01
Release date:2007-04-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007