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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03707948

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UN22-AMINO-4,4-DIHYDROXYBUTANOIC ACIDA,B,C,D1H0G0.72
HSEL-HOMOSERINEA2VDJ0.73
HSEL-HOMOSERINEA,B,C,D1EBU0.73
HSEL-HOMOSERINEA,C1J9N0.73
HSEL-HOMOSERINEA1PQP0.73
HSEL-HOMOSERINEC1H720.73
HSEL-HOMOSERINEE,F3DKS0.73
TH5O-acetyl-L-threonineA,D,E,F,G,H2VZK0.71
ASIL-ISO-ASPARTATEA1EJC0.75
ASIL-ISO-ASPARTATEA,B1EJD0.75
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.75
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.75
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.75
ASIL-ISO-ASPARTATEA,B,C,D1JG30.75
ASIL-ISO-ASPARTATEA,B1DLG0.75
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.75
ASIL-ISO-ASPARTATEA1EYN0.75
ASIL-ISO-ASPARTATEA2JV00.75
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.75
DMK3,3-DIMETHYL ASPARTIC ACIDE,F,G,H1NKK0.71
DMK3,3-DIMETHYL ASPARTIC ACIDA,B,C,D,E,F,
G,H
1NJT0.71
VLL(2S)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.74
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.74
ACB3-METHYL-ASPARTIC ACIDA1EVD0.74
ACB3-METHYL-ASPARTIC ACIDA1EVB0.74
ACB3-METHYL-ASPARTIC ACIDA1EVA0.74
ACB3-METHYL-ASPARTIC ACIDA1LCM0.74
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.74
ACB3-METHYL-ASPARTIC ACIDA1AY30.74
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.74
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.74
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.74
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.74
ACB3-METHYL-ASPARTIC ACIDA1EVC0.74
CANCANALINEA,B,C2CAN0.75
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.82
OXXOXALYL-ASPARTYL ANHYDRIDEA,B1T4C0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.75
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.75
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.74
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.74
HSLHOMOSERINE LACTONEA1X5V0.78
HSLHOMOSERINE LACTONEA2BR60.78
HSLHOMOSERINE LACTONEA1Y4E0.78
HSLHOMOSERINE LACTONEA,B,C,D1H0M0.78
DASD-ASPARTIC ACIDA1BFW0.75
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.75
DASD-ASPARTIC ACIDA1KS70.75
DASD-ASPARTIC ACIDA1C4B0.75
DASD-ASPARTIC ACIDA,B,C,D3BOG0.75
DASD-ASPARTIC ACIDA,L1ZEA0.75
DASD-ASPARTIC ACIDA,B,C,D1HG10.75
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.75
DASD-ASPARTIC ACIDA,B2Q330.75
DASD-ASPARTIC ACIDE1AN10.75
OASO-ACETYLSERINEA,B,C,D,E,F,
G,H,I,J,K,L
2VAV0.7
OASO-ACETYLSERINEA2C580.7
OASO-ACETYLSERINEA1EBV0.7
OASO-ACETYLSERINEA,B,C,D,E,F,
G,H,I,J,K,L
2VAX0.7
ASLASPARTIC ACID-4-CARBOXYETHYL ESTERA,B2NO50.75
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.73
VMEMETHYL L-VALINATEA,B,C2JE40.73
VMEMETHYL L-VALINATEA,B,C2J9J0.73
VMEMETHYL L-VALINATEA,B,C7HVP0.73
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ60.75
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ70.75
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)
A,B2HA20.72
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)
A,B2HA60.72
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.72
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.74
0AK(2S)-2-amino-4-(2-chloroethoxy)-
4-oxobutanoic acid
A2DHD0.75
AEITHREONINE-ASPARTIC ESTERA,B,C,D4ECA0.73
0AAmethyl L-valinateI1HEF0.73
VDL(2R,3R)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75