BindingDB PrimarySearch

Found 26 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM16285'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate measured at 60 secs interval f...				Bioorg Med Chem 27: 644-654 (2019) Article DOI: 10.1016/j.bmc.2019.01.001 BindingDB Entry DOI: 10.7270/Q2QR51KN
Guangxi Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate measured at 60 secs interval f...				Bioorg Med Chem 27: 644-654 (2019) Article DOI: 10.1016/j.bmc.2019.01.001 BindingDB Entry DOI: 10.7270/Q2QR51KN
Guangxi Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant DPP4 using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113765 BindingDB Entry DOI: 10.7270/Q2J67MS2
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 after 20 mins by fluorescence assay				Eur J Med Chem 46: 71-6 (2010) Article DOI: 10.1016/j.ejmech.2010.10.016 BindingDB Entry DOI: 10.7270/Q28P61HD
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human DPP4 after 10 mins				Eur J Med Chem 52: 205-12 (2012) Article DOI: 10.1016/j.ejmech.2012.03.015 BindingDB Entry DOI: 10.7270/Q2B8594W
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human DPP4 using A-P-7-amido-4-trifluoromethylcoumarin as substrate pretreated for 10 mins followed by substrate addition measured afte...				Bioorg Med Chem 26: 903-912 (2018) Article DOI: 10.1016/j.bmc.2018.01.006 BindingDB Entry DOI: 10.7270/Q2FB55J7
Shanghai Jiao Tong University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis				Bioorg Med Chem 20: 5864-83 (2012) Article DOI: 10.1016/j.bmc.2012.07.046 BindingDB Entry DOI: 10.7270/Q2FX7BJX
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 in human Caco-2 cells using AP-AFC as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112850 BindingDB Entry DOI: 10.7270/Q2251NVD
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate preincubated for 15 mins follo...				Eur J Med Chem 180: 509-523 (2019) Article DOI: 10.1016/j.ejmech.2019.07.045 BindingDB Entry DOI: 10.7270/Q2Q243MN
Guangxi Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as substrate incubated for 15 mins by fluorescence assay				J Med Chem 60: 6480-6515 (2017) Article DOI: 10.1021/acs.jmedchem.7b00010 BindingDB Entry DOI: 10.7270/Q2PK0JDP
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 (39 to 766 residues) using Ala-Pro-AFC as substrate incubated for 1 hr by fluorescence assay				J Med Chem 59: 7466-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00475 BindingDB Entry DOI: 10.7270/Q2WW7N6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego, Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP4				J Med Chem 54: 510-24 (2011) Article DOI: 10.1021/jm101016w BindingDB Entry DOI: 10.7270/Q24X5828
Takeda San Diego, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
XuanZhu Pharma Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 pre-incubated with compound for 15 mins before substrate addition by luminescence assay				ACS Med Chem Lett 5: 921-6 (2014) Article DOI: 10.1021/ml5001905 BindingDB Entry DOI: 10.7270/Q2N29ZQM
XuanZhu Pharma Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.129018 BindingDB Entry DOI: 10.7270/Q2251P86
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4 preincubated for 30 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assay				ACS Med Chem Lett 7: 498-501 (2016) Article DOI: 10.1021/acsmedchemlett.6b00027 BindingDB Entry DOI: 10.7270/Q2CN75SM
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.4	22
Takeda Pharmaceutical Company Ltd.					Assay Description Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....				J Med Chem 50: 2297-300 (2007) Article DOI: 10.1021/jm070104l BindingDB Entry DOI: 10.7270/Q2TM78C5
Takeda Pharmaceutical Company Ltd.					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isothermal titration calorimetry				J Med Chem 59: 7466-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00475 BindingDB Entry DOI: 10.7270/Q2WW7N6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasmon resonance analysis				J Med Chem 59: 7466-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00475 BindingDB Entry DOI: 10.7270/Q2WW7N6V
					More data for this Ligand-Target Pair				3D Structure (crystal)