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2MHR
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STRUCTURE OF MYOHEMERYTHRIN IN THE AZIDOMET STATE AT 1.7(SLASH)1.3 ANGSTROMS RESOLUTION
Descriptor:MYOHEMERYTHRIN, AZIDE ION, SULFATE ION, ...
Authors:Sheriff, S., Hendrickson, W.A.
Deposit date:1987-04-20
Release date:1987-10-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of myohemerythrin in the azidomet state at 1.7/1.3 A resolution.
J.Mol.Biol., 197, 1987
3QCB
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, APO
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCC
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH VANADATE, ORTHORHOMBIC CRYSTAL FORM
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCD
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH VANADATE, TRIGONAL CRYSTAL FORM
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION, ACETIC ACID
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCE
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXYLIC ACID VIA SOAKING
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid, SULFATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCF
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXYLIC ACID VIA CO-CRYSTALLIZATION
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid, SULFATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCG
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 3-[(3-BROMO-4-CHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXYLIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid, ACETIC ACID
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCH
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 3-[(3,4-DICHLOROBENZYL)SULFANYL]-N-(METHYLSULFONYL)THIOPHENE-2-CARBOXAMIDE
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCI
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH N-[(3-AMINOPHENYL)SULFONYL]-3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXAMIDE
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCJ
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 5-[({3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHEN-2-YL}CARBONYL)SULFAMOYL]-2-METHOXYBENZOIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCK
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 2-[(3,4-DICHLOROBENZYL)SULFANYL]BENZOIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCL
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 2-[(3,4-DICHLOROBENZYL)SULFANYL]-4-(4-HYDROXYBUT-1-YN-1-YL)BENZOIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCM
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 2-[(3,4-DICHLOROBENZYL)SULFANYL]-4-{[3-({N-[2-(METHYLAMINO)ETHYL]GLYCYL}AMINO)PHENYL]ETHYNYL}BENZOIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCN
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HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, TRIGONAL CRYSTAL FORM
Descriptor:Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
1HUP
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HUMAN MANNOSE BINDING PROTEIN CARBOHYDRATE RECOGNITION DOMAIN TRIMERIZES THROUGH A TRIPLE ALPHA-HELICAL COILED-COIL
Descriptor:MANNOSE-BINDING PROTEIN, CALCIUM ION, SULFATE ION
Authors:Sheriff, S.
Deposit date:1994-09-21
Release date:1995-10-15
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human mannose-binding protein carbohydrate recognition domain trimerizes through a triple alpha-helical coiled-coil.
Nat.Struct.Biol., 1, 1994
1UCB
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STRUCTURE OF UNCOMPLEXED FAB COMPARED TO COMPLEX (1CLY, 1CLZ)
Descriptor:CHIMERIC HUMAN/MOUSE IGG FAB FRAGMENT BR96, SULFATE ION
Authors:Sheriff, S., Bajorath, J.
Deposit date:1996-02-06
Release date:1997-03-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure of the uncomplexed anti-tumor antibody BR96 and comparison with its antigen-bound form.
J.Mol.Biol., 259, 1996
6C0S
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL (4-{6-[(1S)-2-[(3R)-1-ACETYLPIPERIDIN-3-YL]-1-({(2E)-3-[5-CHLORO-2- (1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)ETHYL]-3-CHLOROPYRIDAZIN-4-YL}PHENYL) CARBAMATE
Descriptor:Coagulation factor XI, methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5QCK
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-CHLORANYL-2-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]-3-PHENYL-PYRROLIDIN-2-YL]CARBONYLAMINO]BENZOIC ACID
Descriptor:Coagulation factor XI, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCL
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-CHLORANYL-2-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]-3,4-DIHYDRO-1~{H}-ISOQUINOLIN-1-YL]CARBONYLAMINO]BENZOIC ACID
Descriptor:Coagulation factor XI, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCM
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-CHLORANYL-2-FLUORANYL-6-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]-3,4-DIHYDRO-1~{H}-ISOQUINOLIN-1-YL]CARBONYLAMINO]PHENYL]CARBAMATE
Descriptor:Coagulation factor XI, methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCN
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-CHLORANYL-2-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]-5-[(3~{S})-3-ETHOXYCARBONYLPIPERIDIN-1-YL]CARBONYL-3,4-DIHYDRO-1~{H}-ISOQUINOLIN-1-YL]CARBONYLAMINO]BENZOIC ACID
Descriptor:Coagulation factor XI, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5WB6
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(11S)-11-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-6-FLUORO-2-OXO-1,3,4,10,11,13-HEXAHYDRO-2H-5,9:15,12-DI(AZENO)-1,13-BENZODIAZACYCLOHEPTADECIN-18-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-06-28
Release date:2017-08-02
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0D
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(7S)-7-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-2-OXO-1,2,3,4,5,6,7,9-OCTAHYDRO-11,8-(AZENO)-1,9-BENZODIAZACYCLOTRIDECIN-14-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0E
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(4S,8S)-8-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-4-METHYL-2-OXO-1,3,4,5,6,7,8,10-OCTAHYDRO-2H-12,9-(AZENO)-1,10-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0F
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(4R,5E,8S)-8-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-4-METHYL-2-OXO-1,3,4,7,8,10-HEXAHYDRO-2H-12,9-(AZENO)-1,10-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017