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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03206816

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.82
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.82
BHDBETA-HYDROXYASPARTIC ACIDA1WHE0.72
BHDBETA-HYDROXYASPARTIC ACIDA2DDE0.72
BHDBETA-HYDROXYASPARTIC ACIDC,L1XKA0.72
BHDBETA-HYDROXYASPARTIC ACIDA1ERM0.72
BHDBETA-HYDROXYASPARTIC ACIDL,P1AUT0.72
BHDBETA-HYDROXYASPARTIC ACIDA1WHF0.72
BHDBETA-HYDROXYASPARTIC ACIDL1PFX0.72
BHDBETA-HYDROXYASPARTIC ACIDA,B,C,D1XKB0.72
0A02-methyl-L-aspartic acidA1ART0.71
DASD-ASPARTIC ACIDA1BFW0.79
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.79
DASD-ASPARTIC ACIDA1KS70.79
DASD-ASPARTIC ACIDA1C4B0.79
DASD-ASPARTIC ACIDA,B,C,D3BOG0.79
DASD-ASPARTIC ACIDA,L1ZEA0.79
DASD-ASPARTIC ACIDA,B,C,D1HG10.79
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.79
DASD-ASPARTIC ACIDA,B2Q330.79
DASD-ASPARTIC ACIDE1AN10.79
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.82
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.76
DVAD-VALINEA,B,C,D1C4D0.7
DVAD-VALINEA,B,C,D3BOG0.7
DVAD-VALINEA,B,C,D1GMK0.7
DVAD-VALINEA209D0.7
DVAD-VALINEA,B1TKQ0.7
DVAD-VALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.7
DVAD-VALINEA,B1MIC0.7
DVAD-VALINEA,B1NRU0.7
DVAD-VALINEA1DSD0.7
DVAD-VALINEB1L1V0.7
DVAD-VALINEA,B1JNO0.7
DVAD-VALINEA,B1NRM0.7
DVAD-VALINEA,B1NT50.7
DVAD-VALINEA2JUE0.7
DVAD-VALINEA,B,C,D1AV20.7
DVAD-VALINEA,B2FCN0.7
DVAD-VALINEA,B1A7Z0.7
DVAD-VALINEA,B1AL40.7
DVAD-VALINEA,B1NG80.7
DVAD-VALINEA2D550.7
DVAD-VALINEA1DSC0.7
DVAD-VALINEA,B1ALX0.7
DVAD-VALINEA,B1JO40.7
DVAD-VALINEA,B1MAG0.7
DVAD-VALINEA,B1NT60.7
DVAD-VALINEA,B2Q330.7
DVAD-VALINEA,B1JO30.7
DVAD-VALINEC,D1MNV0.7
DVAD-VALINEA,B1KQE0.7
DVAD-VALINEA,B,C,D1W5U0.7
DVAD-VALINEA,B,C,D2IZQ0.7
DVAD-VALINEA,B,C,D,E,F1UNM0.7
DVAD-VALINEA,C,D1S4V0.7
DVAD-VALINEA,B1OVF0.7
DVAD-VALINEA,L1ZEA0.7
DVAD-VALINEA,B1ALZ0.7
DVAD-VALINEA,B,C1A7Y0.7
DVAD-VALINEA,B173D0.7
DVAD-VALINEA,B1BDW0.7
DVAD-VALINEA,B1FJA0.7
DVAD-VALINEA1BFW0.7
DVAD-VALINEA,B,C,D1I3W0.7
DVAD-VALINEA316D0.7
DVAD-VALINEA,B,C1QFI0.7
DVAD-VALINEA,B1GRM0.7
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.79
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.73
0AAmethyl L-valinateI1HEF0.7
ASIL-ISO-ASPARTATEA1EJC0.79
ASIL-ISO-ASPARTATEA,B1EJD0.79
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.79
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.79
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.79
ASIL-ISO-ASPARTATEA,B,C,D1JG30.79
ASIL-ISO-ASPARTATEA,B1DLG0.79
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.79
ASIL-ISO-ASPARTATEA1EYN0.79
ASIL-ISO-ASPARTATEA2JV00.79
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.79
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.82
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.82
ACB3-METHYL-ASPARTIC ACIDA1EVD0.82
ACB3-METHYL-ASPARTIC ACIDA1EVB0.82
ACB3-METHYL-ASPARTIC ACIDA1EVA0.82
ACB3-METHYL-ASPARTIC ACIDA1LCM0.82
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.82
ACB3-METHYL-ASPARTIC ACIDA1AY30.82
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.82
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.82
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.82
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.82
ACB3-METHYL-ASPARTIC ACIDA1EVC0.82
DMK3,3-DIMETHYL ASPARTIC ACIDE,F,G,H1NKK0.75
DMK3,3-DIMETHYL ASPARTIC ACIDA,B,C,D,E,F,
G,H
1NJT0.75
VMEMETHYL L-VALINATEA,B,C2JE40.7
VMEMETHYL L-VALINATEA,B,C2J9J0.7
VMEMETHYL L-VALINATEA,B,C7HVP0.7