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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03444646

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ITMISOCITRIC ACID-MAGNESIUM COMPLEXA1AI30.74
LACLACTIC ACIDA2FLT0.73
LACLACTIC ACIDA2IMP0.73
LACLACTIC ACIDA1C0Q0.73
LACLACTIC ACIDE,I,P1P110.73
LACLACTIC ACIDA,B2NLI0.73
LACLACTIC ACIDA,B,C,D2PI10.73
LACLACTIC ACIDA1C0R0.73
LACLACTIC ACIDA1UHD0.73
LACLACTIC ACIDC,D1AXD0.73
LACLACTIC ACIDA1QH90.73
LACLACTIC ACIDA2P1E0.73
LACLACTIC ACIDA1K870.73
LACLACTIC ACIDE,I1P120.73
LACLACTIC ACIDA1W3Q0.73
LACLACTIC ACIDA1C0K0.73
LACLACTIC ACIDA,B2FN70.73
LACLACTIC ACIDA1TJ10.73
LACLACTIC ACIDA1TJ00.73
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.79
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.79
VADDEAMINOHYDROXYVALINEC1CWO0.9
PAFPANTOATEA,B2OFP0.76
PAFPANTOATEA,B1N2E0.76
PAFPANTOATEA,B1N2B0.76
PAFPANTOATEA,B1N2J0.76
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.73
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.73
4MV4-METHYL VALERIC ACIDA2ECO0.73
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.73
4MV4-METHYL VALERIC ACIDA,B2COG0.73
MEV(R)-MEVALONATEA,B1QAY0.72
MEV(R)-MEVALONATEA2HFU0.72
MEV(R)-MEVALONATEA,B1R310.72
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.87
IPM3-ISOPROPYLMALIC ACIDA,B1A050.82
IPM3-ISOPROPYLMALIC ACIDA1HJ60.82
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,B,C,D2VK80.73
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1VQ70.73
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1VQ40.73
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,C,E2VOJ0.73
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,2,3,4,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ50.73
2OP(2S)-2-HYDROXYPROPANOIC ACIDA1W9N0.73
ICTISOCITRIC ACIDA1IDE0.78
ICTISOCITRIC ACIDA,B2UXR0.78
ICTISOCITRIC ACIDA,B1XKD0.78
ICTISOCITRIC ACIDA8ICD0.78
ICTISOCITRIC ACIDA,B,D1XG40.78
ICTISOCITRIC ACIDA1CW70.78
ICTISOCITRIC ACIDA1GRO0.78
ICTISOCITRIC ACIDA1W8G0.78
ICTISOCITRIC ACIDA5ICD0.78
ICTISOCITRIC ACIDA,B1LWD0.78
ICTISOCITRIC ACIDA,B,C,D1ITW0.78
ICTISOCITRIC ACIDA,B,C,D1T0L0.78
ICTISOCITRIC ACIDA1PB10.78
ICTISOCITRIC ACIDA1GRP0.78
ICTISOCITRIC ACIDA1CW10.78
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.78
ICTISOCITRIC ACIDA1B0J0.78
ICTISOCITRIC ACIDA1W7F0.78
ICTISOCITRIC ACIDA7ACN0.78
ICTISOCITRIC ACIDA1C970.78
ICTISOCITRIC ACIDA1P8F0.78
ICTISOCITRIC ACIDA2CSG0.78
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.73
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.73
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.73
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.73
ICAISOCITRATE CALCIUM COMPLEXA1AI20.74
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.71
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.71
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.71
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.7
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.95
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.95
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.73
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.71