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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233426

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DASD-ASPARTIC ACIDA1BFW0.83
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.83
DASD-ASPARTIC ACIDA1KS70.83
DASD-ASPARTIC ACIDA1C4B0.83
DASD-ASPARTIC ACIDA,B,C,D3BOG0.83
DASD-ASPARTIC ACIDA,L1ZEA0.83
DASD-ASPARTIC ACIDA,B,C,D1HG10.83
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.83
DASD-ASPARTIC ACIDA,B2Q330.83
DASD-ASPARTIC ACIDE1AN10.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.83
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.83
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.83
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.7
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.7
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.7
ABAALPHA-AMINOBUTYRIC ACIDA1A3P0.7
ABAALPHA-AMINOBUTYRIC ACIDA,S1RBD0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1ZII0.7
ABAALPHA-AMINOBUTYRIC ACIDM,N,O,P2ZSW0.7
ABAALPHA-AMINOBUTYRIC ACIDA1T9E0.7
ABAALPHA-AMINOBUTYRIC ACIDC,D2OJU0.7
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T		2RMA0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6M0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1H0.7
ABAALPHA-AMINOBUTYRIC ACIDA1CYA0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,D1MF80.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,D2J9K0.7
ABAALPHA-AMINOBUTYRIC ACIDD,E,F1XQ70.7
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P		1C5F0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,I8HVP0.7
ABAALPHA-AMINOBUTYRIC ACIDA1W9N0.7
ABAALPHA-AMINOBUTYRIC ACIDC1CWA0.7
ABAALPHA-AMINOBUTYRIC ACIDA1MQX0.7
ABAALPHA-AMINOBUTYRIC ACIDE,S1Z3L0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,C7HVP0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6J0.7
ABAALPHA-AMINOBUTYRIC ACIDC1IKF0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXS0.7
ABAALPHA-AMINOBUTYRIC ACIDA,M,N2Z6W0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4K0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,I4HVP0.7
ABAALPHA-AMINOBUTYRIC ACIDA2JUV0.7
ABAALPHA-AMINOBUTYRIC ACIDA1AJ10.7
ABAALPHA-AMINOBUTYRIC ACIDB3CYS0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLC0.7
ABAALPHA-AMINOBUTYRIC ACIDA1C2U0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,C2J9J0.7
ABAALPHA-AMINOBUTYRIC ACIDC1CWB0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F1QOW0.7
ABAALPHA-AMINOBUTYRIC ACIDD1QNG0.7
ABAALPHA-AMINOBUTYRIC ACIDA9JDW0.7
ABAALPHA-AMINOBUTYRIC ACIDA1CYB0.7
ABAALPHA-AMINOBUTYRIC ACIDA1WZ50.7
ABAALPHA-AMINOBUTYRIC ACIDA3HVP0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6P0.7
ABAALPHA-AMINOBUTYRIC ACIDC1CYN0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1MTR0.7
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H2RMC0.7
ABAALPHA-AMINOBUTYRIC ACIDA1BBO0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,D,E,F,H1M630.7
ABAALPHA-AMINOBUTYRIC ACIDE,F2ZOL0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXR0.7
ABAALPHA-AMINOBUTYRIC ACIDC1CWM0.7
ABAALPHA-AMINOBUTYRIC ACIDA1CSA0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4L0.7
ABAALPHA-AMINOBUTYRIC ACIDC1CWL0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1R0.7
ABAALPHA-AMINOBUTYRIC ACIDA,C,F,H2C5V0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F2ZSV0.7
ABAALPHA-AMINOBUTYRIC ACIDA,C,E,G,I,J,
K,L		2ZOK0.7
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T		2RMB0.7
ABAALPHA-AMINOBUTYRIC ACIDA1MQZ0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
I,J,K,L,M,N		2ESL0.7
ABAALPHA-AMINOBUTYRIC ACIDC1CWH0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
G,H		3BO70.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLD0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCR0.7
ABAALPHA-AMINOBUTYRIC ACIDA,I2O400.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1K090.7
ABAALPHA-AMINOBUTYRIC ACIDB1T1Q0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6K0.7
ABAALPHA-AMINOBUTYRIC ACIDA1MQY0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCK0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6L0.7
ABAALPHA-AMINOBUTYRIC ACIDA2DDE0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1CPI0.7
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1ZIJ0.7
ABAALPHA-AMINOBUTYRIC ACIDA1BAH0.7
ABAALPHA-AMINOBUTYRIC ACIDC,D1QNH0.7
ABAALPHA-AMINOBUTYRIC ACIDT,U,V2POY0.7
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.78
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H		2NYL0.78
ACB3-METHYL-ASPARTIC ACIDA1EVD0.78
ACB3-METHYL-ASPARTIC ACIDA1EVB0.78
ACB3-METHYL-ASPARTIC ACIDA1EVA0.78
ACB3-METHYL-ASPARTIC ACIDA1LCM0.78
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H		2NYM0.78
ACB3-METHYL-ASPARTIC ACIDA1AY30.78
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.78
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.78
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.78
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.78
ACB3-METHYL-ASPARTIC ACIDA1EVC0.78
CANCANALINEA,B,C2CAN0.72
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
AS2(2R)-2-AMINO-4-OXOBUTANOIC ACIDA,B,C,D2GZ30.73
ASIL-ISO-ASPARTATEA1EJC0.83
ASIL-ISO-ASPARTATEA,B1EJD0.83
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.83
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H		1RYW0.83
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.83
ASIL-ISO-ASPARTATEA,B,C,D1JG30.83
ASIL-ISO-ASPARTATEA,B1DLG0.83
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.83
ASIL-ISO-ASPARTATEA1EYN0.83
ASIL-ISO-ASPARTATEA2JV00.83
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z		1Q3G0.83
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ60.73
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ70.73
0A02-methyl-L-aspartic acidA1ART0.7
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.78
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
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.73
ASLASPARTIC ACID-4-CARBOXYETHYL ESTERA,B2NO50.72
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.78
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.78
0AAmethyl L-valinateI1HEF0.73
0AK(2S)-2-amino-4-(2-chloroethoxy)-
4-oxobutanoic acid		A2DHD0.73
AS9N-[HYDROXY(METHYL)PHOSPHORYL]-L-
ASPARTIC ACID		A,B2O4H0.72