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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02366062

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.73
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.76
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.78
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
7912-PHENYLMALONIC ACIDA1O4P0.75
BFLA,B1Q4G0.83
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.81
26CA,B2F7I0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.76
5PV5-PHENYLVALERIC ACIDA,B2AY90.82
4FCA1YSG0.75
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.84
ANQACENAPHTHENEQUINONEH,J1OAX0.74