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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02347395

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.82
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.78
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.73
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.7
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.81
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.81
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.73
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.72
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.77
46C4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-
2(1H)-yl)methyl]benzoic acid
A2ZDT0.73
3CAA,B2B770.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.71
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.77
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.74
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.73
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.73
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.72
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.79
OX1H,Y1LO20.71
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.75
26CA,B2F7I0.73
PMAPYROMELLITIC ACIDA,B1FUP0.76
34Z3,4-dichlorobenzoateX2QVY0.74
34Z3,4-dichlorobenzoateX2QW00.74
3BZ3-chlorobenzoateX2QVZ0.76
3BZ3-chlorobenzoateX2QVX0.76
GA93,3-BIS(3-BROMO-4-HYDROXYPHENYL)-
7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-
1-ONE
A,B,C,D2A9W0.75
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.7
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.78
OSB2-SUCCINYLBENZOATEA1FHV0.77
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.77
OSB2-SUCCINYLBENZOATEA,B2QVH0.77
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.72
1744-CHLORO-BENZOIC ACIDX3DLP0.76
1744-CHLORO-BENZOIC ACIDX1T5D0.76
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.74
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.73
4FCA1YSG0.74
FBCA,B2B9A0.73
4MA4-METHYLBENZOIC ACIDA,H2HRG0.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.82
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.76
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.79
PHTPHTHALIC ACIDA,B,C2B7P0.73
PHTPHTHALIC ACIDA3C2V0.73
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.73
PHTPHTHALIC ACIDA,B3C2R0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.8
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72