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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03651865

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.76
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.75
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.75
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.75
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.75
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.75
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.75
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.77
IVAISOVALERIC ACIDA1YOO0.84
IVAISOVALERIC ACIDE,I4ER20.84
IVAISOVALERIC ACIDE,I1APU0.84
IVAISOVALERIC ACIDE,I1APW0.84
IVAISOVALERIC ACIDE,I1APT0.84
IVAISOVALERIC ACIDA2D5Y0.84
IVAISOVALERIC ACIDA,I1GA40.84
IVAISOVALERIC ACIDE,I1PPK0.84
IVAISOVALERIC ACIDA,B,C,D1QS80.84
IVAISOVALERIC ACIDA,B,C1NLU0.84
IVAISOVALERIC ACIDA,B2RMP0.84
IVAISOVALERIC ACIDA,B1KE10.84
IVAISOVALERIC ACIDE,I1PPL0.84
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.84
IVAISOVALERIC ACIDA2D640.84
IVAISOVALERIC ACIDI2ER00.84
IVAISOVALERIC ACIDI1QRP0.84
IVAISOVALERIC ACIDE,I1APV0.84
IVAISOVALERIC ACIDA,B1KDZ0.84
IVAISOVALERIC ACIDA1UK90.84
IVAISOVALERIC ACIDA,I1WKR0.84
IVAISOVALERIC ACIDA,I3FNT0.84
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.84
IVAISOVALERIC ACIDI1PSO0.84
IVAISOVALERIC ACIDI6APR0.84
IVAISOVALERIC ACIDA2D630.84
MLAMALONIC ACIDA,B1OBL0.75
MLAMALONIC ACIDA,B,C,D2FAH0.75
MLAMALONIC ACIDA,B1PQH0.75
MLAMALONIC ACIDA1O4M0.75
MLAMALONIC ACIDA2APW0.75
MLAMALONIC ACIDA1S7F0.75
MLAMALONIC ACIDT,U,X,Y1E7P0.75
MLAMALONIC ACIDA,B1RD50.75
MLAMALONIC ACIDA,B1NU40.75
MLAMALONIC ACIDA2APB0.75
MLAMALONIC ACIDA3EIF0.75
MLAMALONIC ACIDA,B,C,D2ID40.75
MLAMALONIC ACIDB2VLN0.75
MLAMALONIC ACIDA,B3BF80.75
MLAMALONIC ACIDA2G2Z0.75
MLAMALONIC ACIDB2APT0.75
MLAMALONIC ACIDA2APV0.75
MLAMALONIC ACIDA2APF0.75
MLAMALONIC ACIDA2FW00.75
MLAMALONIC ACIDA1Q440.75
MLAMALONIC ACIDB2VLP0.75
MLAMALONIC ACIDA1S1F0.75
MLAMALONIC ACIDA,B1WOM0.75
MLAMALONIC ACIDX2BRV0.75
MLAMALONIC ACIDA,B,C,D2ZBB0.75
MLAMALONIC ACIDA,B,D1T0F0.75
MLAMALONIC ACIDA2Q3M0.75
MLAMALONIC ACIDB2VLQ0.75
MLAMALONIC ACIDA,B1YS40.75
MLAMALONIC ACIDA,B3E4P0.75
MLAMALONIC ACIDA3CZA0.75
MLAMALONIC ACIDA,B3H090.75
MLAMALONIC ACIDB,D,F,H,J,L1S0Y0.75
MLAMALONIC ACIDA,B2F8A0.75
MLAMALONIC ACIDA2WAL0.75
MLAMALONIC ACIDA,B1O9P0.75
MLAMALONIC ACIDA,B,C,D,E,F,H2QAD0.75
MLAMALONIC ACIDA,B1OCL0.75
MLAMALONIC ACIDA2APX0.75
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.73
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.73
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.84
SMB2-METHYLBUTANOIC ACIDA1UKA0.84
SIF3-TRIMETHYLSILYLSUCCINIC ACIDA,B1FUQ0.71
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.75
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.75
4MV4-METHYL VALERIC ACIDA2ECO0.75
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.75
4MV4-METHYL VALERIC ACIDA,B2COG0.75
BUABUTANOIC ACIDA2CZ00.75
BUABUTANOIC ACIDA1P0I0.75
BUABUTANOIC ACIDA,B2HA70.75
BUABUTANOIC ACIDA1UK70.75
BUABUTANOIC ACIDA2J4C0.75
BUABUTANOIC ACIDA1ZRM0.75
BUABUTANOIC ACIDA3DLT0.75
BUABUTANOIC ACIDA1UGP0.75
BUABUTANOIC ACIDA,B2CZ10.75
AAEACETOACETIC ACIDA,B,C,D3EEW0.76
AAEACETOACETIC ACIDA1FCP0.76
AAEACETOACETIC ACIDA1UJW0.76
AAEACETOACETIC ACIDA,B1QCO0.76
AAEACETOACETIC ACIDA,B,C,D,L1E3W0.76
AAEACETOACETIC ACIDA,B1YSL0.76
AAEACETOACETIC ACIDA2FCP0.76
DXXMETHYLMALONIC ACIDA1CWZ0.88
DXXMETHYLMALONIC ACIDA,B,C,D,E,F1ON30.88
DXXMETHYLMALONIC ACIDA1CW80.88
LMLISOBUTYL MALONIC ACIDA1BFW0.89
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.75
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.75
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.75
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.75
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.73
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.73