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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00483464

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.76
AEITHREONINE-ASPARTIC ESTERA,B,C,D4ECA0.71
0AK(2S)-2-amino-4-(2-chloroethoxy)-
4-oxobutanoic acid
A2DHD0.71
ASIL-ISO-ASPARTATEA1EJC0.73
ASIL-ISO-ASPARTATEA,B1EJD0.73
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.73
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.73
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.73
ASIL-ISO-ASPARTATEA,B,C,D1JG30.73
ASIL-ISO-ASPARTATEA,B1DLG0.73
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.73
ASIL-ISO-ASPARTATEA1EYN0.73
ASIL-ISO-ASPARTATEA2JV00.73
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.73
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.76
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.76
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ60.71
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ70.71
TH5O-acetyl-L-threonineA,D,E,F,G,H2VZK0.7
DZEmethyl (3S)-3-[(tert-butoxycarbonyl)amino]-
4-oxopentanoate
A,B,C,D3GJR0.71
ASLASPARTIC ACID-4-CARBOXYETHYL ESTERA,B2NO50.73
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.74
VMEMETHYL L-VALINATEA,B,C2JE40.75
VMEMETHYL L-VALINATEA,B,C2J9J0.75
VMEMETHYL L-VALINATEA,B,C7HVP0.75
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.76
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.76
ACB3-METHYL-ASPARTIC ACIDA1EVD0.76
ACB3-METHYL-ASPARTIC ACIDA1EVB0.76
ACB3-METHYL-ASPARTIC ACIDA1EVA0.76
ACB3-METHYL-ASPARTIC ACIDA1LCM0.76
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.76
ACB3-METHYL-ASPARTIC ACIDA1AY30.76
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.76
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.76
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.76
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.76
ACB3-METHYL-ASPARTIC ACIDA1EVC0.76
DASD-ASPARTIC ACIDA1BFW0.73
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.73
DASD-ASPARTIC ACIDA1KS70.73
DASD-ASPARTIC ACIDA1C4B0.73
DASD-ASPARTIC ACIDA,B,C,D3BOG0.73
DASD-ASPARTIC ACIDA,L1ZEA0.73
DASD-ASPARTIC ACIDA,B,C,D1HG10.73
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.73
DASD-ASPARTIC ACIDA,B2Q330.73
DASD-ASPARTIC ACIDE1AN10.73
0AAmethyl L-valinateI1HEF0.75
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.74
OXXOXALYL-ASPARTYL ANHYDRIDEA,B1T4C0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.7
HSLHOMOSERINE LACTONEA1X5V0.73
HSLHOMOSERINE LACTONEA2BR60.73
HSLHOMOSERINE LACTONEA1Y4E0.73
HSLHOMOSERINE LACTONEA,B,C,D1H0M0.73
DMK3,3-DIMETHYL ASPARTIC ACIDE,F,G,H1NKK0.73
DMK3,3-DIMETHYL ASPARTIC ACIDA,B,C,D,E,F,
G,H
1NJT0.73