From 8cd1853a412e5fcd9eb0ab5196176d09e110c1d8 Mon Sep 17 00:00:00 2001 From: Anatoly Belikov Date: Mon, 27 Apr 2020 14:37:33 +0300 Subject: [PATCH] pharmagkb to chebi mapping file --- pharma2chebi.tsv | 256 +++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 256 insertions(+) create mode 100644 pharma2chebi.tsv diff --git a/pharma2chebi.tsv b/pharma2chebi.tsv new file mode 100644 index 0000000..93ffc5a --- /dev/null +++ b/pharma2chebi.tsv @@ -0,0 +1,256 @@ +pharma_id Name PubChem DrugBank ChEBI +PA166152901 serotonin 5202 28790 +PA161925594 tropisetron 11699 32269 +PA450267 lorazepam 46508468 186 6539 +PA451608 temazepam 46506604 231 9435 +PA164781320 flunitrazepam 46504553 1544 31622 +PA450496 midazolam 46507611 683 6931 +PA449681 flurazepam 7847395 690 5128 +PA10035 bromazepam 46505694 1558 31302 +PA166131305 nordazepam 2997 111762 +PA166178653 angiotensin 1-7 123805 55438 +PA166109554 angiotensin ii 65143 58506 +PA166109574 bradykinin 439201 3165 +PA165111696 artemisinin 68827 223316 +PA165111697 artesunate 5464098 63918 +PA450163 lamivudine 46507855 709 63577 +PA451735 tramadol 46506256 193 75725 +PA450616 nevirapine 46506789 238 63613 + leukotriene c4 16978 + leukotriene b4 15647 +PA134698661 pranlukast 692058 1411 94810 + leukotriene d4 28666 +PA166114483 lumacaftor 16678941 90951 +PA165950341 ivacaftor 16220172 8820 66901 +PA165946873 vemurafenib 42611257 63637 +PA166178276 6-phosphogluconate 91493 48928 +PA166178280 dihydronicotinamide adenine dinucleotide phosphate 5884 2338 16474 +PA166160613 phosphoribosyl pyrophosphate 7339 17111 +PA166178277 ribulose-5-phosphate 439184 16332 +PA166178279 nicotinamide adenine dinucleotide phosphate 5886 44409 +PA166178274 glucose-6-phosphate 5958 17733 +PA166178278 fructose-6-phosphate 69507 15946 +PA166160614 ribose phosphate 77982 17797 +PA450457 methylene blue 6872 +PA451752 triamterene 46507623 384 9671 + atp 15422 +PA449917 hydrogen peroxide 784 16240 + nadh 16908 +PA450566 mycophenolate mofetil 7847817 688 8764 +PA166160619 inosine monophosphate 8582 17202 +PA166178641 androstenedione 6128 1536 16422 +PA451089 pravastatin 46504851 175 63618 +PA451258 ritodrine 9448 867 8872 +PA451616 terbutaline 9339 871 9449 +PA134687907 formoterol 46507099 983 63082 +PA450431 methoxamine 9716 723 6839 +PA451300 salmeterol 46508024 938 64064 + tyrosine 58315 +PA450390 orciprenaline 9353 816 83329 +PA165110775 sn-38 104842 8988 +PA450085 irinotecan 46505871 762 80630 + acetate 30089 +PA450487 metyrosine 46506079 765 6912 +PA166178639 cholesterol 5997 16113 +PA166178666 squalene 638072 11460 15440 +PA166160055 cholic acid 221493 16359 +PA164924493 axitinib 66910 +PA166118340 motesanib 11667893 51098 +PA164924492 brivanib 94562 +PA166118341 vandetanib 3081361 49960 +PA449646 flecainide 46508078 1195 75984 +PA451457 sotalol 9517 489 63622 +PA449839 halofantrine 603092 1218 94392 +PA449958 ibutilide 731244 308 5856 +PA451131 propafenone 46504529 1182 63619 +PA166131350 acrylic acid 6581 18308 +PA166160613 prpp 7339 17111 +PA451663 thioguanine 46508170 352 9555 +PA166160618 s-adenosylhomocysteine 439155 16680 +PA166178659 arachidonic acid 444899 4557 15843 +PA452620 tegafur 5386 9256 32188 +PA166131299 5'-deoxy-5-fluorouridine 18343 31521 + histamine 18295 +PA166178990 somatostatin 16129681 9099 64628 +PA451234 repaglinide 46508150 912 8805 + acetoacetyl-coa 15345 +PA154410481 prasugrel 99443238 6209 87723 +PA166179131 phosphatidylethanolamine 9546747 44887 +PA166179130 phosphatidylcholine 5287971 2306 73002 +PA10204 tenofovir 699321 300 63717 +PA10005 adefovir dipivoxil 7848718 718 31175 + tryptophan 16828 +PA165291492 pazopanib 11525740 71219 +PA166163680 amitriptylinoxide 20313 135224 +PA166114906 bosutinib 160645775 39112 +PA165946122 crizotinib 11626560 64310 +PA166163464 inositol 1,4,5-trisphosphate 439456 16595 +PA165980594 ponatinib 24826799 78543 +PA131890628 tranilast 77572 +PA166178378 uric acid 1175 17775 +PA451106 probenecid 9576 1032 8426 +PA134852920 benzbromarone 3023 +PA166182234 candesartan cilexetil 2540 3348 +PA165958521 febuxostat 31596 +PA166178628 xanthine 1188 17712 +PA166178630 hypoxanthine 790 17368 +PA166131330 oxypurinol 4644 28315 +PA166178623 allantoin 204 15676 +PA450748 oxymorphone 46505296 1192 7865 +PA166163694 5-hydroxydiclofenac 3052566 59612 +PA166163693 4'-hydroxydiclofenac 116545 59613 +PA166163692 diclofenac acyl glucuronide 16084218 59609 +PA166163701 4',5-dihydroxydiclofenac 3052567 223401 +PA166163695 5-hydroxy diclofenac benzoquinone 15480180 59611 +PA166163700 3'-hydroxydiclofenac 112230 223792 +PA166163659 n-desmethylclozapine 2820 64050 +PA166165069 (s)-norverapamil 15593908 134081 + cl- 17996 + gaba 16865 +PA166109575 angiotensin i 3081372 2718 + fe(ii) 29033 +PA165291922 doxorubicinol 83970 133817 +PA166131278 tetrahydrothiophene 1127 48458 + nh4+ 28938 +PA166131317 sulfolane 31347 74794 +PA165260403 arteether 72416 135335 + m2 34827 +PA166131352 1-methyluric acid 69726 68441 +PA166131274 5-acetylamino-6-formylamino-3-methyluracil 108214 32643 +PA166131368 1-methylxanthine 80220 68443 +PA165820585 1,7-dimethylxanthine 4687 25858 +PA166131373 1,7-dimethyluric acid 91611 68449 +PA166131367 1,3,7-trimethyluric acid 79437 691622 +PA166131287 2-hydroxyiminostilbene 13103864 80599 +PA165817200 2-hydroxycarbamazepine 129274 80596 +PA165817197 3-hydroxycarbamazepine 135290 80597 +PA166131247 12-hydroxynevirapine 453338 145206 + leukotriene a4 15651 + leukotriene e4 15650 +PA166131575 chloride 312 17996 + glutamate 14321 + succinate 26806 +PA166178988 succinate semialdehyde 9543238 26805 +PA166178654 alpha-ketoglutarate 164533 16810 +PA451368 sodium 923 26708 +PA166131354 3-methylxanthine 70639 62205 +PA166131337 desmethyldoxepin 5353833 141547 +PA449773 glucose 5793 17234 +PA166178281 adenosine diphosphate 6022 22252 + m1 34826 + m3 51083 + n-acetyl-p-benzoquinone imine 29132 + h2o 15377 + nadph 16474 + gsh 16856 + nadp 25523 + gssg 17858 + h2o2 16240 + o2 15379 + na+ 29101 + fad 16238 + nad 13389 + fmn 17621 +PA166124478 endoxifen 10090750 80555 +PA164712732 enzyme inhibitors 23924 +PA165823907 hydroxyphenytoin 17732 63804 + nad+ 15846 + ip3 16595 + gtp 15996 + pip2 18348 + dopa 49168 + gdp 17552 + camp 17489 +PA166131329 etoposide glucuronide 46173784 5427 +PA166131563 glutathione conjugate 24335 +PA166131331 quinone 76320713 36141 + acth 3892 +PA452347 glucocorticoids 24261 + sn-38g 8990 + ldl 39026 + idl 132933 + vldl 39027 + phospholipid 16247 +PA451776 triglycerides 17855 + mevalonate 25350 + hdl 39025 + ca2+ 29108 +PA448486 arsenic trioxide 46506448 1169 30621 +PA166131270 aldophosphamide 107744 2560 +PA166131319 chloroacetaldehyde 33 27871 +PA166131388 4-hydroxycyclophosphamide 99735 1864 + ndps 7087 +PA166131349 gemcitabine diphosphate 6420157 42852 +PA166131301 aldoifosfamide 189733 80563 +PA166131315 4-hydroxyifosfamide 308171 80560 +PA166131366 acrolein 7847 15368 +PA166131285 carboxyifosfamide 124143 80564 +PA166131264 alcoifosfamide 10265589 80565 +PA166131387 4-ketoifosfamide 99303 80561 +PA166131371 aziridine 9033 30969 +PA166131307 chloroacetic acid 300 27869 + 1,3-oxazolidin-2-one 1237 +PA166160610 6-methylmercaptopurine riboside 237358 44081 +PA166163264 thioxanthine 1268107 51055 +PA166131558 npc 11756356 80552 +PA166131559 apc 10077584 80551 +PA166131242 3-hydroxycotinine glucuronide 53477725 133205 +PA166131378 cotinine n-oxide 9815514 89087 +PA166131324 norcotinine 413 89406 +PA166114414 cotinine 854019 68641 +PA166131561 cotinine glucuronide 178540 145221 +PA166131323 nornicotine 412 28313 +PA166131310 nicotine glucuronide 3035848 63860 +PA166131297 nicotine n-oxide 17785 132572 +PA166131340 morphine-3-glucuronide 5484731 80631 +PA166131341 codeine-6-glucuronide 5489029 80580 +PA166131414 normorphine 430245 7633 +PA452633 morphine-6-glucuronide 5360621 80581 +PA166131386 norcodeine 9925873 80579 + pgh2 15554 + txa2 15627 + pgd2 15555 + pge2 15551 + pgi2 15552 +PA164713176 platinum compounds 33749 +PA166131258 5'-deoxy-5-fluorocytidine 10037499 80627 + h+ 15378 + gastrin 75436 + pip3 16618 +PA164713207 proton pump inhibitors 49200 + amp 456215 + k+ 29103 + co2 16526 +PA166182027 clopidogrel carboxylic acid 9861403 83504 + farnesyl pyrophosphate 17407 + hmg-coa 15467 + geranyl pyrophosphate 17211 + acetyl-coa 15351 + adp 16761 + cyclic amp 17489 +PA449483 eptifibatide 700331 63 291902 + aa 15843 + pgg2 27647 + metabolite 25212 +PA166178987 diacylglycerol 6026790 18035 + 5-hydroxyindoleacetic acid 27823 + p1 60949 +PA166131450 demethylcitalopram 162180 80603 +PA166131265 citalopram propionic acid 10403174 80605 +PA166131333 abacavir 5'-monophosphate 469588 64112 + (-)-carbovir 5'-monophosphate 64116 + (-)-carbovir 5'-triphosphate 64174 + (-)-carbovir 5'-diphosphate 64172 +PA166177866 metoprolol acid 62936 83478 +PA166182233 o-desethyl candesartan 10047287 145224 +PA166182228 glycinexylidide 87833 357241 +PA166182229 monoethylglycinexylidide 24415 222828 +PA166131268 carboxyibuprofen 10444113 133199 + glucuronide 15341 +PA166178985 anandamide 5281969 2700 + pgf2a 15553 + am1 140154 + am9 140152 +PA166178656 5-hydroxyisourate 250388 18072 +PA164784024 peginterferon alfa-2b 22 63615 +PA166178629 5-hydroxyindole-3-acetic acid 1826 27823