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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02381732

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ASLASPARTIC ACID-4-CARBOXYETHYL ESTERA,B2NO50.83
AHBBETA-HYDROXYASPARAGINEA1DSR0.8
AHBBETA-HYDROXYASPARAGINEA,G1NT00.8
AHBBETA-HYDROXYASPARAGINEA2ZGD0.8
AHBBETA-HYDROXYASPARAGINEA,B2QC90.8
AHBBETA-HYDROXYASPARAGINEA2OG70.8
4TP4-HYDROXY-L-THREONINE-5-MONOPHOSPHATEA,B1PS60.82
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
BHDBETA-HYDROXYASPARTIC ACIDA1WHE1
BHDBETA-HYDROXYASPARTIC ACIDA2DDE1
BHDBETA-HYDROXYASPARTIC ACIDC,L1XKA1
BHDBETA-HYDROXYASPARTIC ACIDA1ERM1
BHDBETA-HYDROXYASPARTIC ACIDL,P1AUT1
BHDBETA-HYDROXYASPARTIC ACIDA1WHF1
BHDBETA-HYDROXYASPARTIC ACIDL1PFX1
BHDBETA-HYDROXYASPARTIC ACIDA,B,C,D1XKB1
42B4-AMINO-2-HYDROXYBUTANOIC ACIDB1O9M0.72
ASIL-ISO-ASPARTATEA1EJC0.77
ASIL-ISO-ASPARTATEA,B1EJD0.77
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.77
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.77
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.77
ASIL-ISO-ASPARTATEA,B,C,D1JG30.77
ASIL-ISO-ASPARTATEA,B1DLG0.77
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.77
ASIL-ISO-ASPARTATEA1EYN0.77
ASIL-ISO-ASPARTATEA2JV00.77
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.77
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ60.81
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ70.81
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
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.71
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.71
AS2(2R)-2-AMINO-4-OXOBUTANOIC ACIDA,B,C,D2GZ30.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.76
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.76
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.76
ALOALLO-THREONINEI,P1HDT0.78
ALOALLO-THREONINEA2JUU0.78
ALOALLO-THREONINEA2VMX0.78
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.75
CANCANALINEA,B,C2CAN0.71
AEITHREONINE-ASPARTIC ESTERA,B,C,D4ECA0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.75
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.71
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.71
ACB3-METHYL-ASPARTIC ACIDA1EVD0.71
ACB3-METHYL-ASPARTIC ACIDA1EVB0.71
ACB3-METHYL-ASPARTIC ACIDA1EVA0.71
ACB3-METHYL-ASPARTIC ACIDA1LCM0.71
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.71
ACB3-METHYL-ASPARTIC ACIDA1AY30.71
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.71
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.71
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.71
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.71
ACB3-METHYL-ASPARTIC ACIDA1EVC0.71
D11D-PHOSPHOTHREONINEA,B2ITK0.7
DASD-ASPARTIC ACIDA1BFW0.77
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.77
DASD-ASPARTIC ACIDA1KS70.77
DASD-ASPARTIC ACIDA1C4B0.77
DASD-ASPARTIC ACIDA,B,C,D3BOG0.77
DASD-ASPARTIC ACIDA,L1ZEA0.77
DASD-ASPARTIC ACIDA,B,C,D1HG10.77
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.77
DASD-ASPARTIC ACIDA,B2Q330.77
DASD-ASPARTIC ACIDE1AN10.77