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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 LJOQGZACKSYWCH-WZBLMQSHSA-N

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL588934 CHEMBL596731 CHEMBL602767 CHEMBL1733652 CHEMBL1531111 CHEMBL2092739 CHEMBL2355802 CHEMBL1740727 CHEMBL1617471 CHEMBL2305514 CHEMBL2079611 CHEMBL531472 CHEMBL533007 CHEMBL1893843 CHEMBL531471 CHEMBL1906890 CHEMBL1314427 CHEMBL1436416
PDBe 0BR
KEGG Ligand C10696
ChEBI 135994 91876 5792
ZINC ZINC000000389626 ZINC000005317082 ZINC000004521567 ZINC000003977898 ZINC000001069088 ZINC000000000219 ZINC000007998002 ZINC000001317949 ZINC000000000220 ZINC000000156021 ZINC000003977899 ZINC000003872852 ZINC000000056607 ZINC000007998025 ZINC000000156023 ZINC000004000060
eMolecules 25721979 36761949 26422251 28206328 30100409 29781486 6877918 35862369 500488 1987145 31503613
IBM Patent System 5632CBFEA8E2D3613F9305FDC5B33DFD A6B9A3CE0A54623ABD7E11B63245D68E E72E81D94AE4C11372F11A4B4AD870D1 BCA8A0C3FE096F20285CCDE9C6F9D83F E111B29D76CC0B1721EF0C50B8C58FF3 31134BFA4F6EB3CCC189B89A670EFD80 1633228442A962DD249ACC18CDF58E8D 1C9A5411641D2983A095FF7AF07050B6 04DDD8AF8C2847D1A1705183D7102152
FDA SRS 31J3Q51T6L Q26K81T6MC F507371PJA 8P68XPY4HG 6BR4G8VAHM
SureChEMBL SCHEMBL17544619 SCHEMBL8828070 SCHEMBL3919172 SCHEMBL5898760 SCHEMBL8186403 SCHEMBL13583771 SCHEMBL4706993 SCHEMBL109600 SCHEMBL9472901 SCHEMBL9786316 SCHEMBL7208271 SCHEMBL1004251 SCHEMBL11148333 SCHEMBL6081638 SCHEMBL16268090 SCHEMBL15475275 SCHEMBL11656432 SCHEMBL8198025 SCHEMBL8966626 SCHEMBL9050011 SCHEMBL7789144 SCHEMBL637793 SCHEMBL13587304 SCHEMBL13583773 SCHEMBL6549377 SCHEMBL109603 SCHEMBL12634328 SCHEMBL15543686 SCHEMBL8193786 SCHEMBL57372 SCHEMBL8584232 SCHEMBL57357 SCHEMBL1649458 SCHEMBL308964 SCHEMBL9347815 SCHEMBL13587306 SCHEMBL6639708 SCHEMBL7022603 SCHEMBL6639701 SCHEMBL8467012 SCHEMBL3918189 SCHEMBL6548472 SCHEMBL13587356 SCHEMBL11157664 SCHEMBL9472623 SCHEMBL8989767 SCHEMBL9487186 SCHEMBL11157670 SCHEMBL15475278 SCHEMBL8828074 SCHEMBL7789676 SCHEMBL6641303 SCHEMBL57374 SCHEMBL88224 SCHEMBL11148338 SCHEMBL6082651 SCHEMBL308961 SCHEMBL308963 SCHEMBL9487627 SCHEMBL13587300 SCHEMBL17543028 SCHEMBL1004252 SCHEMBL2547360 SCHEMBL8198029 SCHEMBL6081643 SCHEMBL6082662 SCHEMBL109602 SCHEMBL88223 SCHEMBL57359 SCHEMBL8186406 SCHEMBL7022607
PubChem: Thomson Pharma 15372048 81045246 16427057 16770823 14821739 163622067 16748940 15074648
PubChem 129318287 118905625 88371471 68839377 70297123 70945004 69154378 121515 67858579 67928119 21125220 69599634 70628189 70525235 117720609 20836619 88262947 70190142 21117691 66873525 88392454 88405013 66753683 22831452 70945006 5318125 13550111 7069816 638267 70946321 6916032 69821485 16401293 5318127 6432519 70299057 102134 67860593 67743758 88262949 67447608 22297909 66589239 117072651 6420031 57516021 6604612 66589235 67631654 12166995 13550109 73951103 21954282 2734756 67592621 23305116 88020953 133124944 122163733 89002 88020952 88075571 89001 68838953 67858534 69821387 45479755 67830187 66589237 6432105 21862293 21116442 6604591 16667668 70527390 73951178 1257698 20323277 76974754 57992270 86743419 44593813 54669737 66589240 18397927 89970843 70190276 132965784 6604590 88371472 70527392 66595386 11859599 16211709 119057812 45934212 6916040 70525236 91503 22831453 3649 45479756 11645562 22831448 51371408 69849129 67860666 6950350 16401292 69658174 70297124 66589236 118904209 11667010 73951102 73759787 18530311 18397926 126456251 66595385 688077 44511035 442912 131699311 2734755 6921587 22831447 6916031 54669736 174413 74765327 10651 88075572 6931452 76974756 76974755 7059532 7069815 6950349 6921586 11859598 11870901 6931450
Mcule MCULE-2996730348 MCULE-7339387053 MCULE-4052726024 MCULE-1634002130 MCULE-2147403709 MCULE-7528877045
NMRShiftDB 10017692
LINCS LSM-1805 LSM-1275
ACToR 1668-97-9 18253-58-2 304695-81-6 85153-19-1 1435-55-8 522-66-7 1476-98-8
MolPort MolPort-001-742-602 MolPort-004-285-653 MolPort-019-998-139 MolPort-009-758-353 MolPort-004-946-958 MolPort-001-742-601 MolPort-003-928-664
Nikkaji J361.373I J6.625G J3.105.985B J2.425.234E J2.973.728B J7.488H J2.425.233G J3.558.731D J3.528.086C
BindingDB 94991 50407157 50407154
EPA CompTox Dashboard DTXSID70878516 DTXSID70197996 DTXSID30423566 DTXSID50862110
DrugCentral 4570 889
Metabolights MTBLC135994 MTBLC91876 MTBLC5792
Brenda 97452
ChemicalBook CB8127464

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/LJOQGZACKSYWCH-WZBLMQSHSA-N/0/0/4
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