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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250982

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.79
PMLPIMELIC ACIDA1KGT0.71
GUAGLUTARIC ACIDA,B1JW00.77
GUAGLUTARIC ACIDA,B,C,D1B4N0.77
GUAGLUTARIC ACIDA1AMS0.77
GUAGLUTARIC ACIDA,B1XEY0.77
GUAGLUTARIC ACIDA1CZC0.77
GUAGLUTARIC ACIDA,B,C1IYD0.77
SHVHEPTANOIC ACIDA1PO80.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1M1N0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,G,
I,J,K,L,N,P
1M1Y0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1G210.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QGU0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDB,D1MIO0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AFI0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QH80.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1M340.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1FP40.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C2MIN0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,G1G200.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1N2C0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
2AFK0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QH10.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D3MIN0.73
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E2AFH0.73
TRCTRICARBALLYLIC ACIDA6ACN0.81
TRCTRICARBALLYLIC ACIDA,B2PW00.81
TRCTRICARBALLYLIC ACIDA5ACN0.81
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.79
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.9
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.9
MEV(R)-MEVALONATEA,B1QAY0.7
MEV(R)-MEVALONATEA2HFU0.7
MEV(R)-MEVALONATEA,B1R310.7
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.77
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.72
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.72
LMLISOBUTYL MALONIC ACIDA1BFW0.74
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.74
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.79
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.79
4MV4-METHYL VALERIC ACIDA2ECO0.79
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.79
4MV4-METHYL VALERIC ACIDA,B2COG0.79
G88(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACIDA2JBJ0.74
G88(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACIDA2PVW0.74
0PAcyclopentylacetic acidA,B3DWR0.77
4AT5-OXOHEXANOIC ACIDA,B2EFY0.76
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.71
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.73
6NAHEXANOIC ACIDA,B2IX40.77
6NAHEXANOIC ACIDA,B2IWZ0.77
6NAHEXANOIC ACIDA2IQ00.77
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.72
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.74
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.83