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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727794

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.76
TRCTRICARBALLYLIC ACIDA6ACN0.79
TRCTRICARBALLYLIC ACIDA,B2PW00.79
TRCTRICARBALLYLIC ACIDA5ACN0.79
0PAcyclopentylacetic acidA,B3DWR0.76
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.76
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.88
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.88
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.78
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.78
4MV4-METHYL VALERIC ACIDA2ECO0.78
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.78
4MV4-METHYL VALERIC ACIDA,B2COG0.78
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.76
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.76
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.85
4AT5-OXOHEXANOIC ACIDA,B2EFY0.74
GUAGLUTARIC ACIDA,B1JW00.75
GUAGLUTARIC ACIDA,B,C,D1B4N0.75
GUAGLUTARIC ACIDA1AMS0.75
GUAGLUTARIC ACIDA,B1XEY0.75
GUAGLUTARIC ACIDA1CZC0.75
GUAGLUTARIC ACIDA,B,C1IYD0.75
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.81
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.76
6NAHEXANOIC ACIDA,B2IX40.75
6NAHEXANOIC ACIDA,B2IWZ0.75
6NAHEXANOIC ACIDA2IQ00.75
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.77
BHX(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acidA3BHX0.71
LMLISOBUTYL MALONIC ACIDA1BFW0.73
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.7
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.7
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.7
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.7
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.7
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.74
G88(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACIDA2JBJ0.72
G88(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACIDA2PVW0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1M1N0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,G,
I,J,K,L,N,P
1M1Y0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1G210.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QGU0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDB,D1MIO0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AFI0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QH80.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1M340.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1FP40.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C2MIN0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,G1G200.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1N2C0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
2AFK0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QH10.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D3MIN0.71
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E2AFH0.71