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ChEMBL

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ChEMBL Statistics
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UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key WJSIUCDMWSDDCE-UHFFFAOYSA-K

  • s = stereochemical difference.
  • i = isotopic difference.
  • p = protonation differences identified.



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1201170 CHEMBL1234004 CHEMBL1261
DrugBank DB01356 DB04272
PDBe LI CIT FLC
Guide to Pharmacology 2478
KEGG Ligand C00158
ChEBI 64735 49713 35806 30769 35802 35809 35810 16947 76049
ZINC ZINC000000895081
eMolecules 524893 889361 475729 26753032 26753501 26753381 26757991
IBM Patent System B5B6C1C0062693D7F1F9E1DC1BBB3C19 B6D0EACAA9B51D273BD051006BC92FDD
FDA SRS 3655633623 8H8Z5UER66 XF417D3PSL
SureChEMBL SCHEMBL40882 SCHEMBL7599577 SCHEMBL106967 SCHEMBL842 SCHEMBL475574 SCHEMBL460208 SCHEMBL45491 SCHEMBL1458270 SCHEMBL1332229 SCHEMBL1331346 SCHEMBL7566316 SCHEMBL1331787 SCHEMBL1880546 SCHEMBL1331942
PharmGKB PA450243 PA449021
Human Metabolome Database HMDB0005949 HMDB0000094
PubChem: Thomson Pharma 15043006 15412698 15322278 15322319 14968669 15243995 14773000 14993176
PubChem 5129076 13520 18326914 28486 6914561 6857642 22051957 3853591 88113319 19782904 311 4342083 87111074 4099777 24802 59575930 87060892 31348 76764134 12303295 9990172 102066902 129761155 16219104 12303294 10313505 88162338 87306242 25113638 10012881 16217547 9815540 16213286 10241686 16213403 123132476
Mcule MCULE-6872461833 MCULE-7981253226
NMRShiftDB 10008628 20209106 20207394
ACToR 10377-38-5 6680-58-6 919-16-4 879647-30-0 17341-24-1 77-92-9 12262-73-6 126-44-3
Recon cit
MolPort MolPort-003-666-554 MolPort-001-788-314
Nikkaji J48.475J J247.008J J2.824J J209.397I J2.602.659H J209.358H J2.415.820I J3.349.093C J819.241C
BindingDB 14672 92494
EPA CompTox Dashboard DTXSID10169612 DTXSID3020332 DTXSID30155037 DTXSID30486651 DTXSID40438005 DTXSID20583845 DTXSID80584439
DrugCentral 666
Metabolights MTBLC35806 MTBLC30769 MTBLC35802 MTBLC16947 MTBLC35809 MTBLC35810
Brenda 6242 56655 152 12806 202159 17651 110131 1714 131 46303 54493
Rhea 49713 16947

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/WJSIUCDMWSDDCE-UHFFFAOYSA-K/0/0/4
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