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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03336070

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.77
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.73
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.76
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.71
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A1TH60.74
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A2ARM0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.72
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.72
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.7
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.72
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.76
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.75
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.71
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.85
BFLA,B1Q4G0.74
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE
A1FKH0.74
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.71
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A,C,E,G1MZN0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.72
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.7