Potential structure errors
Cases where a single EUBOpen_ID is associated with two distinct ChEMBL structures (not alternative forms e.g. salts) may need a review:
EUBOpen ID | Differences in associated structures |
---|---|
EUB0000710 | Connectivity differences |
EUB0000195 | Stereochemical differences |
EUB0000303 | Stereochemical differences |
EUB0000752 | Connectivity differences |
EUB0000308 | Connectivity differences |
EUB0001072 | Connectivity differences |
EUB0000544 | Stereochemical differences |
EUB0000714 | Connectivity differences |
EUB0000326 | Stereochemical differences |
EUB0000289 | Connectivity differences |
EUB0000753 | Stereochemistry, should not have crossed bond in ring |
EUB0000301 | Connectivity differences |
EUB0000033 | Stereochemical differences |
EUB0000328 | Stereochemical differences |
EUB0000741 | Stereochemical differences |
EUB0001564 | Stereochemical differences |
EUB0000119 | Stereochemical differences |
EUB0000057 | Stereochemical differences |
EUB0000739 | Stereochemical differences |
EUB0000704 | Connectivity differences |
EUB0000090 | Stereochemical differences |
EUB0000332 | Connectivity differences |
EUB0000291 | Connectivity differences |
EUB0000312 | Connectivity differences |
EUB0000316 | Connectivity differences |
EUB0001565 | Stereochemical differences |
EUB0000199 | Stereochemical differences |
EUB0000264 | Stereochemical differences |
EUB0000750 | Stereochemical differences |
A single ChEMBL_ID (structure) is associated with two distinct EUBOpen_IDs:
EUBOpen_IDs associated with a single structure | Compound_name |
---|---|
EUB0000663 | Barasertib-HQPA |
EUB0000125b | Barasertib-HQPA |
EUB0000325a | I-BRD9 |
EUB0000247b | I-BRD9 (GSK602) |
EUB0001692aCl | BI 1002494 |
EUB0001529aCl | BI01002494 |
EUB0000308 | A_079 |
EUB0002011a | A-967079 |
A single name is associated with two different structures:
EUBOpen_ID | Same name associated with two structures/EUBOpen_IDs |
---|---|
EUB0000324a | LP99 |
EUB0000227c | LP99 |
EUB0000175a | 640 |
EUB0000878a | 640 |
EUB0001058a | Paclitaxel |
EUB0001808a | Paclitaxel |
EUB0000301c | BTZO-4 |
EUB0001135a | BTZO-4 |
EUB0000963a | Prostaglandin D2 |
EUB0001834a | Prostaglandin D2 |
EUB0000319a | BI-1230 |
EUB0001182a | BI-1230 |