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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02904572

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4PAPROPYL ACETATEA1TQH0.72
4PAPROPYL ACETATEA2O7R0.72
MSUSUCCINIC ACID MONOMETHYL ESTERA,B,I,J2RDL0.71
MSUSUCCINIC ACID MONOMETHYL ESTERI1HNE0.71
MSUSUCCINIC ACID MONOMETHYL ESTERA,B2H5D0.71
MSUSUCCINIC ACID MONOMETHYL ESTERE,I3PRK0.71
MLAMALONIC ACIDA,B1OBL0.73
MLAMALONIC ACIDA,B,C,D2FAH0.73
MLAMALONIC ACIDA,B1PQH0.73
MLAMALONIC ACIDA1O4M0.73
MLAMALONIC ACIDA2APW0.73
MLAMALONIC ACIDA1S7F0.73
MLAMALONIC ACIDT,U,X,Y1E7P0.73
MLAMALONIC ACIDA,B1RD50.73
MLAMALONIC ACIDA,B1NU40.73
MLAMALONIC ACIDA2APB0.73
MLAMALONIC ACIDA3EIF0.73
MLAMALONIC ACIDA,B,C,D2ID40.73
MLAMALONIC ACIDB2VLN0.73
MLAMALONIC ACIDA,B3BF80.73
MLAMALONIC ACIDA2G2Z0.73
MLAMALONIC ACIDB2APT0.73
MLAMALONIC ACIDA2APV0.73
MLAMALONIC ACIDA2APF0.73
MLAMALONIC ACIDA2FW00.73
MLAMALONIC ACIDA1Q440.73
MLAMALONIC ACIDB2VLP0.73
MLAMALONIC ACIDA1S1F0.73
MLAMALONIC ACIDA,B1WOM0.73
MLAMALONIC ACIDX2BRV0.73
MLAMALONIC ACIDA,B,C,D2ZBB0.73
MLAMALONIC ACIDA,B,D1T0F0.73
MLAMALONIC ACIDA2Q3M0.73
MLAMALONIC ACIDB2VLQ0.73
MLAMALONIC ACIDA,B1YS40.73
MLAMALONIC ACIDA,B3E4P0.73
MLAMALONIC ACIDA3CZA0.73
MLAMALONIC ACIDA,B3H090.73
MLAMALONIC ACIDB,D,F,H,J,L1S0Y0.73
MLAMALONIC ACIDA,B2F8A0.73
MLAMALONIC ACIDA2WAL0.73
MLAMALONIC ACIDA,B1O9P0.73
MLAMALONIC ACIDA,B,C,D,E,F,H2QAD0.73
MLAMALONIC ACIDA,B1OCL0.73
MLAMALONIC ACIDA2APX0.73
DXXMETHYLMALONIC ACIDA1CWZ0.75
DXXMETHYLMALONIC ACIDA,B,C,D,E,F1ON30.75
DXXMETHYLMALONIC ACIDA1CW80.75
CA1ETHYL PROPIONATEB2B0F0.76
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.76
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.73
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.73
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.73
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.73
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.73
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.73
BUQ4-HYDROXY-2-BUTANONEA,B1D7J0.72
PIVPIVALIC ACIDB,D,F,H1SMR0.73
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1HL20.71
3PY3-HYDROXYPYRUVIC ACIDA,B1O5X0.71
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1NFV0.71
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1FDY0.71
BUABUTANOIC ACIDA2CZ00.73
BUABUTANOIC ACIDA1P0I0.73
BUABUTANOIC ACIDA,B2HA70.73
BUABUTANOIC ACIDA1UK70.73
BUABUTANOIC ACIDA2J4C0.73
BUABUTANOIC ACIDA1ZRM0.73
BUABUTANOIC ACIDA3DLT0.73
BUABUTANOIC ACIDA1UGP0.73
BUABUTANOIC ACIDA,B2CZ10.73
PPIPROPANOIC ACIDA1SEG0.71
PPIPROPANOIC ACIDA,B2SFP0.71
PPIPROPANOIC ACIDA2HUB0.71
PPIPROPANOIC ACIDA1A8S0.71
PPIPROPANOIC ACIDA1UK60.71
PPIPROPANOIC ACIDA1LIE0.71
PPIPROPANOIC ACIDA,B,C2UYP0.71
PPIPROPANOIC ACIDA1ADL0.71
PPIPROPANOIC ACIDA,P,Q3CU80.71
PPIPROPANOIC ACIDA1TU90.71
PPIPROPANOIC ACIDA1UUX0.71
PPIPROPANOIC ACIDA1UUY0.71
PPIPROPANOIC ACIDA1LIC0.71
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.82
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.82
3OH3-HYDROXY-PROPANOIC ACIDA1M330.83
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.87