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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02352212

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
1W3M0.79
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J320.7
ASKDEHYDROXYMETHYLASPARTIC ACIDE,F1JXQ0.7
ASKDEHYDROXYMETHYLASPARTIC ACIDA,I2F4O0.7
ASKDEHYDROXYMETHYLASPARTIC ACIDA,I1X3Z0.7
ASKDEHYDROXYMETHYLASPARTIC ACIDI2CJX0.7
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J330.7
ASKDEHYDROXYMETHYLASPARTIC ACIDT,U,V,W,X,Y1QDU0.7
ASKDEHYDROXYMETHYLASPARTIC ACIDC,D1CP30.7
ASKDEHYDROXYMETHYLASPARTIC ACIDA,B,C,D,E,F1M720.7
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J300.7
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J310.7
ASKDEHYDROXYMETHYLASPARTIC ACIDI2CJY0.7
0A02-methyl-L-aspartic acidA1ART0.71
CANCANALINEA,B,C2CAN0.77
ASAASPARTIC ALDEHYDEE,F2QLF0.74
ASAASPARTIC ALDEHYDEC3H110.74
ASAASPARTIC ALDEHYDED,E,F2QL90.74
ASAASPARTIC ALDEHYDEC2H5I0.74
ASAASPARTIC ALDEHYDEE,F2H650.74
ASAASPARTIC ALDEHYDEA,B1IAU0.74
ASAASPARTIC ALDEHYDEA,E,F2QLJ0.74
ASAASPARTIC ALDEHYDEE,F2H5J0.74
ASAASPARTIC ALDEHYDED,E,F2QL50.74
ASAASPARTIC ALDEHYDED,E,F2QL70.74
ASAASPARTIC ALDEHYDEE,F3EDR0.74
ASAASPARTIC ALDEHYDEA,B,C1QTN0.74
ASAASPARTIC ALDEHYDED,E,F2QLB0.74
DBBD-ALPHA-AMINOBUTYRIC ACIDL,N1WCO0.71
DBBD-ALPHA-AMINOBUTYRIC ACIDC1CWC0.71
DBBD-ALPHA-AMINOBUTYRIC ACIDE,I1QR30.71
DBBD-ALPHA-AMINOBUTYRIC ACIDA,F,L,S2D7F0.71
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.79
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.79
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.81
AS2(2R)-2-AMINO-4-OXOBUTANOIC ACIDA,B,C,D2GZ30.74
DASD-ASPARTIC ACIDA1BFW0.88
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.88
DASD-ASPARTIC ACIDA1KS70.88
DASD-ASPARTIC ACIDA1C4B0.88
DASD-ASPARTIC ACIDA,B,C,D3BOG0.88
DASD-ASPARTIC ACIDA,L1ZEA0.88
DASD-ASPARTIC ACIDA,B,C,D1HG10.88
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.88
DASD-ASPARTIC ACIDA,B2Q330.88
DASD-ASPARTIC ACIDE1AN10.88
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.74
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.74
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.74
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.84
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.84
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.84
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.84
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.84
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.84
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.84
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.84
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.84
AS9N-[HYDROXY(METHYL)PHOSPHORYL]-L-
ASPARTIC ACID
A,B2O4H0.73
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.79
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.79
ACB3-METHYL-ASPARTIC ACIDA1EVD0.79
ACB3-METHYL-ASPARTIC ACIDA1EVB0.79
ACB3-METHYL-ASPARTIC ACIDA1EVA0.79
ACB3-METHYL-ASPARTIC ACIDA1LCM0.79
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.79
ACB3-METHYL-ASPARTIC ACIDA1AY30.79
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.79
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.79
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.79
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.79
ACB3-METHYL-ASPARTIC ACIDA1EVC0.79
0AK(2S)-2-amino-4-(2-chloroethoxy)-
4-oxobutanoic acid
A2DHD0.7
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.71
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.71
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.71
ABAALPHA-AMINOBUTYRIC ACIDA1A3P0.71
ABAALPHA-AMINOBUTYRIC ACIDA,S1RBD0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1ZII0.71
ABAALPHA-AMINOBUTYRIC ACIDM,N,O,P2ZSW0.71
ABAALPHA-AMINOBUTYRIC ACIDA1T9E0.71
ABAALPHA-AMINOBUTYRIC ACIDC,D2OJU0.71
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMA0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6M0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1H0.71
ABAALPHA-AMINOBUTYRIC ACIDA1CYA0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,D1MF80.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,D2J9K0.71
ABAALPHA-AMINOBUTYRIC ACIDD,E,F1XQ70.71
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P
1C5F0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,I8HVP0.71
ABAALPHA-AMINOBUTYRIC ACIDA1W9N0.71
ABAALPHA-AMINOBUTYRIC ACIDC1CWA0.71
ABAALPHA-AMINOBUTYRIC ACIDA1MQX0.71
ABAALPHA-AMINOBUTYRIC ACIDE,S1Z3L0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,C7HVP0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6J0.71
ABAALPHA-AMINOBUTYRIC ACIDC1IKF0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXS0.71
ABAALPHA-AMINOBUTYRIC ACIDA,M,N2Z6W0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4K0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,I4HVP0.71
ABAALPHA-AMINOBUTYRIC ACIDA2JUV0.71
ABAALPHA-AMINOBUTYRIC ACIDA1AJ10.71
ABAALPHA-AMINOBUTYRIC ACIDB3CYS0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLC0.71
ABAALPHA-AMINOBUTYRIC ACIDA1C2U0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,C2J9J0.71
ABAALPHA-AMINOBUTYRIC ACIDC1CWB0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F1QOW0.71
ABAALPHA-AMINOBUTYRIC ACIDD1QNG0.71
ABAALPHA-AMINOBUTYRIC ACIDA9JDW0.71
ABAALPHA-AMINOBUTYRIC ACIDA1CYB0.71
ABAALPHA-AMINOBUTYRIC ACIDA1WZ50.71
ABAALPHA-AMINOBUTYRIC ACIDA3HVP0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6P0.71
ABAALPHA-AMINOBUTYRIC ACIDC1CYN0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1MTR0.71
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H2RMC0.71
ABAALPHA-AMINOBUTYRIC ACIDA1BBO0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,D,E,F,H1M630.71
ABAALPHA-AMINOBUTYRIC ACIDE,F2ZOL0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXR0.71
ABAALPHA-AMINOBUTYRIC ACIDC1CWM0.71
ABAALPHA-AMINOBUTYRIC ACIDA1CSA0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4L0.71
ABAALPHA-AMINOBUTYRIC ACIDC1CWL0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1R0.71
ABAALPHA-AMINOBUTYRIC ACIDA,C,F,H2C5V0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F2ZSV0.71
ABAALPHA-AMINOBUTYRIC ACIDA,C,E,G,I,J,
K,L
2ZOK0.71
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T
2RMB0.71
ABAALPHA-AMINOBUTYRIC ACIDA1MQZ0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.71
ABAALPHA-AMINOBUTYRIC ACIDC1CWH0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
G,H
3BO70.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLD0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCR0.71
ABAALPHA-AMINOBUTYRIC ACIDA,I2O400.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1K090.71
ABAALPHA-AMINOBUTYRIC ACIDB1T1Q0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6K0.71
ABAALPHA-AMINOBUTYRIC ACIDA1MQY0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCK0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6L0.71
ABAALPHA-AMINOBUTYRIC ACIDA2DDE0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1CPI0.71
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1ZIJ0.71
ABAALPHA-AMINOBUTYRIC ACIDA1BAH0.71
ABAALPHA-AMINOBUTYRIC ACIDC,D1QNH0.71
ABAALPHA-AMINOBUTYRIC ACIDT,U,V2POY0.71
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.73
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ60.7
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ70.7
ASIL-ISO-ASPARTATEA1EJC0.88
ASIL-ISO-ASPARTATEA,B1EJD0.88
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.88
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.88
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.88
ASIL-ISO-ASPARTATEA,B,C,D1JG30.88
ASIL-ISO-ASPARTATEA,B1DLG0.88
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.88
ASIL-ISO-ASPARTATEA1EYN0.88
ASIL-ISO-ASPARTATEA2JV00.88
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.88