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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02236733

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J
1M3U0.72
SIF3-TRIMETHYLSILYLSUCCINIC ACIDA,B1FUQ0.82
SINSUCCINIC ACIDA,B1KQE0.76
SINSUCCINIC ACIDA,B,C,D1KOR0.76
SINSUCCINIC ACIDA,B,C,D3GXW0.76
SINSUCCINIC ACIDA2AYD0.76
SINSUCCINIC ACIDA,B,D,E2BWN0.76
SINSUCCINIC ACIDA,B3E4O0.76
SINSUCCINIC ACIDC,D1ZKF0.76
SINSUCCINIC ACIDA1UO90.76
SINSUCCINIC ACIDA,B3BY90.76
SINSUCCINIC ACIDH,I1OYT0.76
SINSUCCINIC ACIDA,B,C,D1VZ50.76
SINSUCCINIC ACIDI1THS0.76
SINSUCCINIC ACIDA2WBP0.76
SINSUCCINIC ACIDA,B2DJL0.76
SINSUCCINIC ACIDD,H2FES0.76
SINSUCCINIC ACIDA,B3CQY0.76
SINSUCCINIC ACIDA,B,F,G2Q8D0.76
SINSUCCINIC ACIDA,B2BIF0.76
SINSUCCINIC ACIDA2FDJ0.76
SINSUCCINIC ACIDA1O6F0.76
SINSUCCINIC ACIDA1O6G0.76
SINSUCCINIC ACIDH2CN00.76
SINSUCCINIC ACIDC,D1RMH0.76
SINSUCCINIC ACIDA,B,D,F,G,H,I2IXP0.76
SINSUCCINIC ACIDA,B3EDN0.76
SINSUCCINIC ACIDA2CNQ0.76
SINSUCCINIC ACIDA,B,C,D2Z0A0.76
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1HQJ0.76
SINSUCCINIC ACIDA3GC20.76
SINSUCCINIC ACIDS1AU80.76
SINSUCCINIC ACIDA1RPV0.76
SINSUCCINIC ACIDB,M,P2RKZ0.76
SINSUCCINIC ACIDA1KYC0.76
SINSUCCINIC ACIDA1D4D0.76
SINSUCCINIC ACIDB1PIP0.76
SINSUCCINIC ACIDD,H2FEQ0.76
SINSUCCINIC ACIDH,P2ANK0.76
SINSUCCINIC ACIDA1CZE0.76
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
3HWK0.76
SINSUCCINIC ACIDA,B,C,D1F8I0.76
SINSUCCINIC ACIDA,B,C,D1XG30.76
SINSUCCINIC ACIDH,P2A2X0.76
SINSUCCINIC ACIDA1H2Z0.76
SINSUCCINIC ACIDA,B,C,D1HG00.76
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
1L4X0.76
SINSUCCINIC ACIDA2CSG0.76
SINSUCCINIC ACIDA1KNP0.76
SINSUCCINIC ACIDA1E5H0.76
SINSUCCINIC ACIDA1ABZ0.76
SINSUCCINIC ACIDD,H1NZQ0.76
SINSUCCINIC ACIDA,B2V620.76
SINSUCCINIC ACIDA,B2FDG0.76
SINSUCCINIC ACIDA,B2FDK0.76
SINSUCCINIC ACIDA,B2FDI0.76
SINSUCCINIC ACIDH2CF90.76
SINSUCCINIC ACIDB1LOP0.76
SINSUCCINIC ACIDA,B1H6C0.76
SINSUCCINIC ACIDA3BIF0.76
SINSUCCINIC ACIDA1ZWG0.76
SINSUCCINIC ACIDS1CGH0.76
SINSUCCINIC ACIDD,H1O0D0.76
SINSUCCINIC ACIDH2CF80.76
SINSUCCINIC ACIDA2CGN0.76
SINSUCCINIC ACIDA,X2AGE0.76
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
3HZN0.76
SINSUCCINIC ACIDA,B1QGL0.76
SINSUCCINIC ACIDH2V3O0.76
SINSUCCINIC ACIDA,B,C,D2PC60.76
SINSUCCINIC ACIDA2R2J0.76
SINSUCCINIC ACIDH,I2V3H0.76
SINSUCCINIC ACIDC1V9T0.76
SINSUCCINIC ACIDA2OG70.76
SINSUCCINIC ACIDA,D1VZ40.76
SINSUCCINIC ACIDA,X2AGG0.76
SINSUCCINIC ACIDA1GP60.76
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.82
BUABUTANOIC ACIDA2CZ00.71
BUABUTANOIC ACIDA1P0I0.71
BUABUTANOIC ACIDA,B2HA70.71
BUABUTANOIC ACIDA1UK70.71
BUABUTANOIC ACIDA2J4C0.71
BUABUTANOIC ACIDA1ZRM0.71
BUABUTANOIC ACIDA3DLT0.71
BUABUTANOIC ACIDA1UGP0.71
BUABUTANOIC ACIDA,B2CZ10.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.71
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.71
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.71
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.71
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.71
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.71
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.71
IVAISOVALERIC ACIDA1YOO0.79
IVAISOVALERIC ACIDE,I4ER20.79
IVAISOVALERIC ACIDE,I1APU0.79
IVAISOVALERIC ACIDE,I1APW0.79
IVAISOVALERIC ACIDE,I1APT0.79
IVAISOVALERIC ACIDA2D5Y0.79
IVAISOVALERIC ACIDA,I1GA40.79
IVAISOVALERIC ACIDE,I1PPK0.79
IVAISOVALERIC ACIDA,B,C,D1QS80.79
IVAISOVALERIC ACIDA,B,C1NLU0.79
IVAISOVALERIC ACIDA,B2RMP0.79
IVAISOVALERIC ACIDA,B1KE10.79
IVAISOVALERIC ACIDE,I1PPL0.79
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.79
IVAISOVALERIC ACIDA2D640.79
IVAISOVALERIC ACIDI2ER00.79
IVAISOVALERIC ACIDI1QRP0.79
IVAISOVALERIC ACIDE,I1APV0.79
IVAISOVALERIC ACIDA,B1KDZ0.79
IVAISOVALERIC ACIDA1UK90.79
IVAISOVALERIC ACIDA,I1WKR0.79
IVAISOVALERIC ACIDA,I3FNT0.79
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.79
IVAISOVALERIC ACIDI1PSO0.79
IVAISOVALERIC ACIDI6APR0.79
IVAISOVALERIC ACIDA2D630.79
PAFPANTOATEA,B2OFP0.7
PAFPANTOATEA,B1N2E0.7
PAFPANTOATEA,B1N2B0.7
PAFPANTOATEA,B1N2J0.7
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.71
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.71
4MV4-METHYL VALERIC ACIDA2ECO0.71
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.71
4MV4-METHYL VALERIC ACIDA,B2COG0.71
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.79
SMB2-METHYLBUTANOIC ACIDA1UKA0.79
PIVPIVALIC ACIDB,D,F,H1SMR0.71
MSUSUCCINIC ACID MONOMETHYL ESTERA,B,I,J2RDL0.78
MSUSUCCINIC ACID MONOMETHYL ESTERI1HNE0.78
MSUSUCCINIC ACID MONOMETHYL ESTERA,B2H5D0.78
MSUSUCCINIC ACID MONOMETHYL ESTERE,I3PRK0.78
TRCTRICARBALLYLIC ACIDA6ACN0.73
TRCTRICARBALLYLIC ACIDA,B2PW00.73
TRCTRICARBALLYLIC ACIDA5ACN0.73