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ccd-tags.tsv
We can make this file beautiful and searchable if this error is corrected: It looks like row 2 should actually have 7 columns, instead of 6. in line 1.
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ccd-tags.tsv
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_chem_comp.formula 99.998 1 1.00 1 40694 000 {line} 123 0BE {word}
_chem_comp.formula_weight 99.993 1 1.00 1 40815 000 {1.008 - 5496.51}
_chem_comp.id 100.000 1 1.00 1 39757 00A {word} 1061 000 {0 - 9e+09}
_chem_comp.mon_nstd_parent_comp_id 5.044 1 1.00 1 87 05A {line} 1971 00A {word} 1 M7P {289 - 289}
_chem_comp.name 100.000 1 1.00 1 1169 001 {text} 12459 000 {line} 27190 002 {word}
_chem_comp.one_letter_code 3.898 1 1.00 1 1591 00C {word}
_chem_comp.pdbx_ambiguous_flag 96.979 1 1.00 1 39399 000 N 186 067 Y
_chem_comp.pdbx_formal_charge 100.000 1 1.00 1 38977 000 0 1061 02P 1 258 07D 2 249 0A2 -1 79 2PB -2 68 0FY 3 31 2FJ 4 24 3AG -3 17 3H9 -4 15 6MO 6 14 7MT 5 7 8M0 -8 5 H1Q -5 5 DVT -6 3 CUM 7 2 9F0 12 1 WSQ 8 1 VSU 13 1 PW9 -11
_chem_comp.pdbx_ideal_coordinates_details 84.254 1 1.00 1 33595 000 Corina 383 003 OpenEye/OEToolkits V1.4.2 180 16P Corina V3.40 157 047 OpenEye OEToolkits 76 1FH not provided
_chem_comp.pdbx_ideal_coordinates_missing_flag 100.000 1 1.00 1 40146 000 N 672 03R Y
_chem_comp.pdbx_initial_date 100.000 1 1.00 1 40818 000 {word}
_chem_comp.pdbx_model_coordinates_db_code 95.098 1 1.00 1 38647 000 {word} 170 0GQ {1 - 6e+99}
_chem_comp.pdbx_model_coordinates_details 0.385 1 1.00 1 155 01E not provided 1 9VD 5W4K 1 VV7 missing
_chem_comp.pdbx_model_coordinates_missing_flag 100.000 1 1.00 1 39235 000 N 1583 00O Y
_chem_comp.pdbx_modified_date 100.000 1 1.00 1 40818 000 {word}
_chem_comp.pdbx_processing_site 99.988 1 1.00 1 25354 000 RCSB 7652 007 EBI 4571 009 PDBJ 3224 05A PDBE 12 06L PDBC
_chem_comp.pdbx_release_status 100.000 1 1.00 1 40103 000 REL 715 045 OBS
_chem_comp.pdbx_replaced_by 0.894 1 1.00 1 359 0A3 {word} 6 13H {243 - 986}
_chem_comp.pdbx_replaces 0.684 1 1.00 1 2 5P8 {line} 269 0DA {word} 8 961 {98 - 638}
_chem_comp.pdbx_subcomponent_list 1.548 1 1.00 1 632 006 {line}
_chem_comp.pdbx_synonyms 18.061 1 1.00 1 626 0BI {text} 2973 00C {line} 3770 001 {word} 3 1J0 {1.35469e+08 - 1.46282e+08}
_chem_comp.pdbx_type 99.361 1 1.00 1 36596 001 HETAIN 1619 000 ATOMP 1129 045 ATOMS 762 02I ATOMN 241 04J HETAD 133 0BE HETAI 38 1CU HETIC 32 2CP HETAC 5 DIS HETAS 2 S6L hetain
_chem_comp.three_letter_code 99.591 1 1.00 1 39596 00A {word} 1055 000 {0 - 9e+09}
_chem_comp.type 100.000 1 1.00 1 2829 004 {line} 37989 000 {word}
_chem_comp_atom.alt_atom_id 99.998 1 47.09 440 209 2FH {line} 1921889 000 {word}
_chem_comp_atom.atom_id 99.998 1 47.09 440 1922099 000 {word}
_chem_comp_atom.charge 99.993 1 47.09 440 1916865 000 0 2846 018 1 1943 018 -1 162 0BE 2 56 3CO 3 16 4MO 4 9 3G0 -2 4 6MO 6 3 VSU 5 1 GWQ -4
_chem_comp_atom.comp_id 99.998 1 47.09 440 1869234 00A {word} 52865 000 {0 - 9e+09}
_chem_comp_atom.model_Cartn_x 99.804 1 46.70 440 1902597 000 {-628.928 - 850.661}
_chem_comp_atom.model_Cartn_y 99.804 1 46.70 440 1902597 000 {-939.601 - 545.315}
_chem_comp_atom.model_Cartn_z 99.804 1 46.70 440 1902597 000 {-348.143 - 1053.92}
_chem_comp_atom.pdbx_align 99.998 1 47.09 440 1730791 000 1 191307 001 0
_chem_comp_atom.pdbx_aromatic_flag 99.998 1 47.09 440 1525226 000 N 396872 001 Y
_chem_comp_atom.pdbx_component_atom_id 99.995 1 47.09 440 8 6HE {line} 1922019 000 {word} 3 LVT {1 - 111}
_chem_comp_atom.pdbx_component_comp_id 99.995 1 47.09 440 1869113 006 {word} 52918 000 {0 - 9e+09}
_chem_comp_atom.pdbx_component_id 0.292 37 72.45 213 8621 045 1
_chem_comp_atom.pdbx_leaving_atom_flag 99.998 1 47.09 440 1910621 000 N 11477 000 Y
_chem_comp_atom.pdbx_model_Cartn_x_ideal 98.738 1 46.96 440 1892644 000 {-117.4 - 267.348}
_chem_comp_atom.pdbx_model_Cartn_y_ideal 98.738 1 46.96 440 1892644 000 {-63.504 - 207.534}
_chem_comp_atom.pdbx_model_Cartn_z_ideal 98.738 1 46.96 440 1892644 000 {-63.696 - 277.296}
_chem_comp_atom.pdbx_ordinal 99.998 1 47.09 440 1922099 000 {1 - 440}
_chem_comp_atom.pdbx_polymer_type 0.292 37 72.45 213 8621 045 polymer
_chem_comp_atom.pdbx_residue_numbering 0.292 37 72.45 213 2942 045 1 2704 045 2 1386 045 3 652 0TS 4 485 0TS 5 247 4CQ 6 140 4CQ 7 65 4CQ 8
_chem_comp_atom.pdbx_stereo_config 99.998 1 47.09 440 1854198 000 N 35278 002 R 32623 001 S
_chem_comp_atom.type_symbol 99.998 1 47.09 440 1922099 000 {word}
_chem_comp_bond.atom_id_1 99.733 1 49.06 446 1996995 000 {word}
_chem_comp_bond.atom_id_2 99.733 1 49.06 446 1996995 000 {word}
_chem_comp_bond.comp_id 99.733 1 49.06 446 1941806 00A {word} 55189 000 {0 - 9e+09}
_chem_comp_bond.pdbx_aromatic_flag 99.733 1 49.06 446 1586619 000 N 410376 001 Y
_chem_comp_bond.pdbx_ordinal 99.733 1 49.06 446 1996995 000 {1 - 446}
_chem_comp_bond.pdbx_stereo_config 99.733 1 49.06 446 1991843 000 N 3441 02E E 1711 03F Z
_chem_comp_bond.value_order 99.733 1 49.06 446 1716690 000 SING 277983 000 DOUB 2322 02Y TRIP
_pdbx_chem_comp_atom_related.atom_id 0.759 17 23.61 39 7320 07E {word}
_pdbx_chem_comp_atom_related.comp_id 0.759 17 23.61 39 7220 07E {word} 100 145 {145 - 491}
_pdbx_chem_comp_atom_related.ordinal 0.759 17 23.61 39 7320 07E {1 - 39}
_pdbx_chem_comp_atom_related.related_atom_id 0.759 17 23.61 39 7320 07E {word}
_pdbx_chem_comp_atom_related.related_comp_id 0.759 17 23.61 39 7293 07E {word} 27 M7P {289 - 289}
_pdbx_chem_comp_atom_related.related_type 0.759 17 23.61 39 7320 07E Carbohydrate core
_pdbx_chem_comp_audit.action_type 99.787 1 2.53 13 103012 000 {line}
_pdbx_chem_comp_audit.annotator 0.002 1 1.00 1 1 8LH MJC
_pdbx_chem_comp_audit.comp_id 99.787 1 2.53 13 100109 00A {word} 2903 000 {0 - 9e+09}
_pdbx_chem_comp_audit.date 99.787 1 2.53 13 103012 000 {word}
_pdbx_chem_comp_audit.processing_site 99.787 1 2.53 13 80435 000 RCSB 8741 007 EBI 8597 001 PDBE 5202 009 PDBJ 14 06L PDBC 1 GJV AM 1 2GC CS 1 FHE PDB 1 9O9 PDBj
_pdbx_chem_comp_descriptor.comp_id 99.998 1 6.72 7 267031 00A {word} 7320 000 {0 - 9e+09}
_pdbx_chem_comp_descriptor.descriptor 99.998 1 6.72 7 1098 01A {text} 20 09U {line} 273233 000 {word}
_pdbx_chem_comp_descriptor.program 99.998 1 6.72 7 81612 000 CACTVS 81572 000 OpenEye OEToolkits 81554 000 InChI 29609 000 ACDLabs 4 GLX InChi
_pdbx_chem_comp_descriptor.program_version 99.998 1 6.72 7 82560 000 {word} 191791 000 {1 - 12.01}
_pdbx_chem_comp_descriptor.type 99.998 1 6.72 7 111201 000 SMILES 81592 000 SMILES_CANONICAL 40777 000 InChI 40777 000 InChIKey 4 GLX INCHI
_pdbx_chem_comp_feature.comp_id 2.090 1 3.83 4 3227 05L {word} 43 145 {145 - 604}
_pdbx_chem_comp_feature.source 2.090 1 3.83 4 3268 05L PDB 2 5II AUTHOR
_pdbx_chem_comp_feature.type 2.090 1 3.83 4 850 05L CARBOHYDRATE ISOMER 844 05L CARBOHYDRATE RING 839 05L CARBOHYDRATE PRIMARY CARBONYL GROUP 737 05L CARBOHYDRATE ANOMER
_pdbx_chem_comp_feature.value 2.090 1 3.83 4 718 05L D 712 05L aldose 709 05L pyranose 390 0HX alpha 347 05L beta 132 0HX L 127 0LP ketose 87 1X4 furanose 39 0LP dihydropyran 5 0HX dihydrofuran 4 0YT thiopyranose
_pdbx_chem_comp_identifier.comp_id 98.501 1 1.73 6 67719 00A {word} 1992 000 {0 - 9e+09}
_pdbx_chem_comp_identifier.identifier 98.501 1 1.73 6 1136 01A {text} 23220 000 {line} 45355 002 {word}
_pdbx_chem_comp_identifier.program 98.501 1 1.73 6 39328 000 OpenEye OEToolkits 29606 000 ACDLabs 464 0MK GMML 301 0MK PDB-CARE 6 BLA ACD-LABS 5 BAZ OpenEye/Lexichem 1 DOD Lexichem
_pdbx_chem_comp_identifier.program_version 98.501 1 1.73 6 19535 000 12.01 10177 04Y 2.0.7 9672 001 10.04 9070 001 1.5.0 6093 09I 2.0.6 5395 03G 1.7.6 2619 04H 1.9.2 1785 000 1.7.0 1340 00J 1.6.1 1048 1KL 2.0.4 935 02G 1.7.2 765 0MK 1.0 607 4IA 2.0.5 399 071 11.02 259 1IX 3.1.0.0 6 BLA 4.04 5 BAZ 1.4 1 DOD 1.1
_pdbx_chem_comp_identifier.type 98.501 1 1.73 6 68946 000 SYSTEMATIC NAME 301 0MK IUPAC CARBOHYDRATE SYMBOL 173 0MK CONDENSED IUPAC CARBOHYDRATE SYMBOL 169 0MK COMMON NAME 122 0MK SNFG CARBOHYDRATE SYMBOL
_pdbx_chem_comp_related.comp_id 0.759 1 1.00 1 306 07E {word} 4 145 {145 - 491}
_pdbx_chem_comp_related.related_comp_id 0.759 1 1.00 1 309 07E {word} 1 M7P {289 - 289}
_pdbx_chem_comp_related.relationship_type 0.759 1 1.00 1 310 07E Carbohydrate core
_pdbx_chem_comp_synonyms.comp_id 17.698 1 1.37 10 9554 00C {word} 317 001 {0 - 9e+09}
_pdbx_chem_comp_synonyms.name 17.698 1 1.37 10 55 1SY {text} 3504 00C {line} 6233 001 {word} 79 07I {3352 - 1.55289e+08}
_pdbx_chem_comp_synonyms.ordinal 17.698 1 1.37 10 7224 001 1 1253 017 2 762 017 3 440 0HX 4 136 0NZ 5 32 49T 6 15 49T 7 6 4D6 8 2 DDA 9 1 DDA 10
_pdbx_chem_comp_synonyms.provenance 5.745 1 1.88 10 3784 012 PDB 329 06K AUTHOR 276 07I PUBCHEM 15 1LT DRUGBANK 13 4D6 CHEMBL 2 58A CHEBI
_pdbx_chem_comp_synonyms.type 0.066 1 1.04 2 9 PV9 IUPAC 4 83F precursor 2 9JL compound number 1 NY0 C=CC(=O)N1CC(=O)Nc2ccccc12 1 NX0 C=CC(=O)N1CCOc2ncccc12 1 NXI C=CC(=O)NCc1ccc2[nH]ncc2c1 1 N6K C=CS(=O)(=O)NCc1ccc2[nH]ncc2c1 1 NZ6 CC1=C(C2=C(Cl)C(C)=CC3=C2C=NN3)C(C4=CC=CC=C4)=NN1C5CC6(CN(C(C=C)=O)C6)C5 1 NZX CC1=CC=C2C(C=NN2)=C1C3=C(C)N(C4CC5(CN(C(C=C)=O)C5)C4)N=C3C6CCCCC6 1 NB3 Cn1nc(CNC(=O)C=C)c2ccccc12 1 XHO IUPAC name 1 Y7R common name 1 4WI drug brand name 1 4WI drug name 1 QOP international nonproprietary name 1 ZRT pharmaceutical generic name