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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015016

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
TH5O-acetyl-L-threonineA,D,E,F,G,H2VZK0.71
0AAmethyl L-valinateI1HEF0.76
CANCANALINEA,B,C2CAN0.75
HSEL-HOMOSERINEA2VDJ0.77
HSEL-HOMOSERINEA,B,C,D1EBU0.77
HSEL-HOMOSERINEA,C1J9N0.77
HSEL-HOMOSERINEA1PQP0.77
HSEL-HOMOSERINEC1H720.77
HSEL-HOMOSERINEE,F3DKS0.77
ASAASPARTIC ALDEHYDEE,F2QLF0.73
ASAASPARTIC ALDEHYDEC3H110.73
ASAASPARTIC ALDEHYDED,E,F2QL90.73
ASAASPARTIC ALDEHYDEC2H5I0.73
ASAASPARTIC ALDEHYDEE,F2H650.73
ASAASPARTIC ALDEHYDEA,B1IAU0.73
ASAASPARTIC ALDEHYDEA,E,F2QLJ0.73
ASAASPARTIC ALDEHYDEE,F2H5J0.73
ASAASPARTIC ALDEHYDED,E,F2QL50.73
ASAASPARTIC ALDEHYDED,E,F2QL70.73
ASAASPARTIC ALDEHYDEE,F3EDR0.73
ASAASPARTIC ALDEHYDEA,B,C1QTN0.73
ASAASPARTIC ALDEHYDED,E,F2QLB0.73
OLTO-METHYL-L-THREONINEA,B,C2AOC0.71
OLTO-METHYL-L-THREONINEA,B,C2AOD0.71
DASD-ASPARTIC ACIDA1BFW0.71
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.71
DASD-ASPARTIC ACIDA1KS70.71
DASD-ASPARTIC ACIDA1C4B0.71
DASD-ASPARTIC ACIDA,B,C,D3BOG0.71
DASD-ASPARTIC ACIDA,L1ZEA0.71
DASD-ASPARTIC ACIDA,B,C,D1HG10.71
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.71
DASD-ASPARTIC ACIDA,B2Q330.71
DASD-ASPARTIC ACIDE1AN10.71
AS2(2R)-2-AMINO-4-OXOBUTANOIC ACIDA,B,C,D2GZ30.73
VMEMETHYL L-VALINATEA,B,C2JE40.76
VMEMETHYL L-VALINATEA,B,C2J9J0.76
VMEMETHYL L-VALINATEA,B,C7HVP0.76
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.83
HSLHOMOSERINE LACTONEA1X5V1
HSLHOMOSERINE LACTONEA2BR61
HSLHOMOSERINE LACTONEA1Y4E1
HSLHOMOSERINE LACTONEA,B,C,D1H0M1
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
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
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.71
ASIL-ISO-ASPARTATEA1EJC0.71
ASIL-ISO-ASPARTATEA,B1EJD0.71
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.71
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.71
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.71
ASIL-ISO-ASPARTATEA,B,C,D1JG30.71
ASIL-ISO-ASPARTATEA,B1DLG0.71
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.71
ASIL-ISO-ASPARTATEA1EYN0.71
ASIL-ISO-ASPARTATEA2JV00.71
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.71
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.72
OLZO-(2-aminoethyl)-L-serineA3DJ00.71