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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727606

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GM3N-{1-[(HEXOPYRANOSYLOXY)METHYL]-
2-HYDROXYNONADECYL}TETRACOSANAMIDE
A2BV70.71
ZIOA,B2IYA0.93
JOSA2O440.81
CAICARBOMYCIN A1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K8A0.79
81818-HYDROXYASCOMYCINA1FKD0.71
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
A1ZT40.72
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
A,C,E2PO60.72
ERYERYTHROMYCIN AA,B2IYF0.99
ERYERYTHROMYCIN AA,B3FRQ0.99
ERYERYTHROMYCIN A0,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1YI20.99
ERYERYTHROMYCIN AA,B2J0D0.99
ERYERYTHROMYCIN AA1JZY0.99
ERNA2O430.88
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID
A2FIK0.75
TAOTROLEANDOMYCIN01OND0.89
CTYCLARITHROMYCINA1J5A0.99
ROXROXITHROMYCINA1JZZ0.89
SPRSPIRAMYCIN I1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1KD10.78
PBS(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-
D-GALACTOPYRANOSYL)OXY]-2-AMINO-
OCTADECANE-3,4-DIOL
A,C1Z5L0.72
TYKTYLOSIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K9M0.79
GM2N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE
A1GZP0.71
NRBNARBOMYCINA,B2VZM0.77
NRBNARBOMYCINA2C7X0.77
ZITAZITHROMYCIN01NWY0.91
ZITAZITHROMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1M1K0.91
ZITAZITHROMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1YHQ0.91
FK58-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCINA2FKE0.71
FK58-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCINA1FKF0.71
FK58-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCINA,B,C1TCO0.71
FK58-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCINA,B1Q6I0.71
FK58-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCINA1FKJ0.71
FK58-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCINA,B2VN10.71
FK58-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCINA1YAT0.71
FK58-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCINA1BKF0.71
PXI4-{[4-(DIMETHYLAMINO)-3-HYDROXY-
6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-
12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2C6H0.78
PXI4-{[4-(DIMETHYLAMINO)-3-HYDROXY-
6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-
12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2CA00.78
PXI4-{[4-(DIMETHYLAMINO)-3-HYDROXY-
6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-
12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2CD80.78
PXI4-{[4-(DIMETHYLAMINO)-3-HYDROXY-
6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-
12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2VZ70.78