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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011241

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HNE(2E,4R)-4-HYDROXYNON-2-ENALA,B2J3K0.7
9OD(2Z)-9-oxodec-2-enoic acidA3BFA0.8
9OD(2Z)-9-oxodec-2-enoic acidA,B3CZ00.8
9OD(2Z)-9-oxodec-2-enoic acidA,B3CYZ0.8
9OD(2Z)-9-oxodec-2-enoic acidA3BFB0.8
OCX(5E,11E,14E)-8-oxoicosa-5,9,11,14-
tetraenoic acid
A,B2ZK30.72
CCU(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACIDA,B2F7A0.7
CCU(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACIDA2F7C0.7
CCU(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACIDA,B,C,D3GLB0.7
ACDARACHIDONIC ACIDA1DIY0.7
ACDARACHIDONIC ACIDA1VYG0.7
ACDARACHIDONIC ACIDA1U670.7
ACDARACHIDONIC ACIDA1GNJ0.7
ACDARACHIDONIC ACIDA1ADL0.7
ACDARACHIDONIC ACIDA,B1CVU0.7
BEOBUTENOIC ACIDA1LFO0.78
MAEMALEIC ACIDA,B1AOG0.71
MAEMALEIC ACIDA1ASG0.71
MAEMALEIC ACIDA1QIS0.71
MAEMALEIC ACIDA2D610.71
MAEMALEIC ACIDA1ASB0.71
MAEMALEIC ACIDA1ASA0.71
MAEMALEIC ACIDA,B1AY50.71
MAEMALEIC ACIDA1QIR0.71
MAEMALEIC ACIDA1ASE0.71
MAEMALEIC ACIDA1IX70.71
MAEMALEIC ACIDA,B1TOK0.71
MAEMALEIC ACIDA2D7Z0.71
MAEMALEIC ACIDA1AMR0.71
MAEMALEIC ACIDA,B1ARI0.71
MAEMALEIC ACIDA1ASD0.71
MAEMALEIC ACIDA1B4X0.71
MAEMALEIC ACIDA1QIT0.71
MAEMALEIC ACIDA,B1K7H0.71
MAEMALEIC ACIDA,B1AHY0.71
MAEMALEIC ACIDA,B,C,D1YAA0.71
MAEMALEIC ACIDA,B,C,D1BKG0.71
MAEMALEIC ACIDA,B2CST0.71
MAEMALEIC ACIDA,B1ASM0.71
MAEMALEIC ACIDA,B,C,D2IPO0.71
MAEMALEIC ACIDA,B1GXF0.71
REARETINOIC ACIDA1CBS0.7
REARETINOIC ACIDA,B1EPB0.7
REARETINOIC ACIDA,D1K740.7
REARETINOIC ACIDA,D3E000.7
REARETINOIC ACIDA3LBD0.7
REARETINOIC ACIDA,B,C,D,E,F,
G,H
1XLS0.7
REARETINOIC ACIDA,B,C,D,E,F,
G,H
2ACL0.7
REARETINOIC ACIDA,B,C,D3FAL0.7
REARETINOIC ACIDA,D,U,X1FM60.7
REARETINOIC ACIDE,F1RLB0.7
REARETINOIC ACIDA,D3DZU0.7
REARETINOIC ACIDA3CWK0.7
REARETINOIC ACIDA,B2NNH0.7
REARETINOIC ACIDA,B2VE30.7
REARETINOIC ACIDA1N4H0.7
REARETINOIC ACIDA2FR30.7
REARETINOIC ACIDB,C1G5Y0.7
REARETINOIC ACIDA2LBD0.7
REARETINOIC ACIDA,B,E,F1XDK0.7
REARETINOIC ACIDA,D1FM90.7
REARETINOIC ACIDA1FEM0.7
REARETINOIC ACIDA,D3DZY0.7
REARETINOIC ACIDA,B1TYR0.7
REARETINOIC ACIDA2G780.7
REARETINOIC ACIDA1GX90.7
REARETINOIC ACIDA,B,C,D3FC60.7
REARETINOIC ACIDA,B1CBR0.7
REARETINOIC ACIDA,B1FBY0.7
REARETINOIC ACIDA,B1XIU0.7
FUMFUMARIC ACIDA,B1QCO0.71
FUMFUMARIC ACIDA1E390.71
FUMFUMARIC ACIDA,B,C,D1GZ30.71
FUMFUMARIC ACIDA,B1LJ10.71
FUMFUMARIC ACIDA,B1M640.71
FUMFUMARIC ACIDA,B,C,D1PJ20.71
FUMFUMARIC ACIDA2B7R0.71
FUMFUMARIC ACIDA2B7S0.71
FUMFUMARIC ACIDA,B1JRY0.71
FUMFUMARIC ACIDA,B1KSU0.71
FUMFUMARIC ACIDA1P2E0.71
FUMFUMARIC ACIDA,B1JRX0.71
FUMFUMARIC ACIDA,B1TKQ0.71
FUMFUMARIC ACIDA1D4E0.71
FUMFUMARIC ACIDA1KSS0.71
FUMFUMARIC ACIDA,B,C,D1PJ40.71
FUMFUMARIC ACIDA,B,C,D1PJ30.71
FUMFUMARIC ACIDA,B1JRZ0.71
FUMFUMARIC ACIDA,B,C,D1GZ40.71