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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00095849

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NTANITRILOTRIACETIC ACIDA1GVC0.71
NTANITRILOTRIACETIC ACIDA1NFT0.71
BCNBICINEA,B,C,D2V8H0.74
BCNBICINEA1QUS0.74
BCNBICINEA1LTM0.74
BCNBICINEA2JC50.74
BCNBICINEA,B,C,D1V0J0.74
BCNBICINEA1QDR0.74
BCNBICINEA1KI00.74
BCNBICINEY,Z1KMI0.74
BCNBICINEA,B,C2OV50.74
BCNBICINEA2A810.74
BCNBICINEA,B,C,D2V8G0.74
BCNBICINEA,B3HWR0.74
BCNBICINEA2R6S0.74
BCNBICINEA,B2R4J0.74
EDT{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-
CARBOXYMETHYL-AMINO}-ACETIC ACID
A2AXN0.73
EDT{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-
CARBOXYMETHYL-AMINO}-ACETIC ACID
A1NNF0.73
EDT{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-
CARBOXYMETHYL-AMINO}-ACETIC ACID
A,B1ZLQ0.73
DO310-((2R)-2-HYDROXYPROPYL)-1,4,7,10-
TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID
A1H870.73
DO310-((2R)-2-HYDROXYPROPYL)-1,4,7,10-
TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID
A,B,C,D,E,F,
G,H
2QMI0.73
SCUN,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUMA,B2HA20.71
ACHACETYLCHOLINEA,B2RIN0.83
ACHACETYLCHOLINEA,B2HA40.83
ACHACETYLCHOLINEA2ACE0.83
ACHACETYLCHOLINEA,B,C,D,E,F2J0H0.83
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)
A,B2HA20.77
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)
A,B2HA60.77