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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03923192

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.79
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.75
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.75
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.75
MOBA,B1SRH0.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.76
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.71
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
2345-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-
3-CARBOXYLIC ACID
A1Q1M0.73
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE
D,E,F,G,H1LLR0.81
LAM4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-
(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-
(1-3)-BETA-D-GLUCOPYRANOSIDE
A1J8V0.72
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.7
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.71
DM1DAUNOMYCINA152D0.71
DM1DAUNOMYCINA,B,C,D1O0K0.71
DM1DAUNOMYCINA1JO20.71
DM1DAUNOMYCINA,B308D0.71
DM1DAUNOMYCINA1D330.71
DM1DAUNOMYCINA110D0.71
DM1DAUNOMYCINA1D110.71
DM1DAUNOMYCINA427D0.71
DM1DAUNOMYCINA2D340.71
DM1DAUNOMYCINA3F8F0.71
DM1DAUNOMYCINA1D100.71
DM1DAUNOMYCINA1DA00.71
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE
D,E,F,G,H1JR00.74
A32(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE
D,E,F,G,H,L,
M,O,P,V,W,X,
Y,Z
1JQY0.75
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.72
DM36-DEOXYDAUNOMYCINA1D140.71
BV1D,E,F,G,H1RCV0.71
DM64'-EPIDOXORUBICINA1D150.71
DM64'-EPIDOXORUBICINA1D540.71
DM64'-EPIDOXORUBICINA1D580.71
DM64'-EPIDOXORUBICINA1QDA0.71
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.78
DM2DOXORUBICINA2DR60.71
DM2DOXORUBICINA1P200.71
DM2DOXORUBICINA1I1E0.71
DM2DOXORUBICINA151D0.71
DM2DOXORUBICINA1D120.71
DM2DOXORUBICINA1DA90.71
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.76
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.76
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.76
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.76
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
NOVNOVOBIOCINA,B1KIJ0.72
NOVNOVOBIOCINA,B1S140.72
NOVNOVOBIOCINA1AJ60.72
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.73
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.72
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.82
NARNARINGENINA,B2UXU0.72
NARNARINGENINA2BRT0.72
NARNARINGENINA1CGK0.72
NARNARINGENINA,B1EYQ0.72
BV21,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-
BENZOYLAMINO]-PROPYL}-PIPERAZIN-
1-YL)-PROPYL-AMINO]-CARBONYLOXY)-
2-AMINO-PROPANE
D,E,F,G,H1RD90.71
15BN-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
BETA-BENZAMIDE
D,E,F,G,H1PZJ0.74
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.75
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.75
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.7
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.74
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.72
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP60.72
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.71
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.71
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.74
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.72
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.73
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.73
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.72
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
D,F2C290.72
J15N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
ALPHA-BENZAMIDE
D,E,F,G,H1PZJ0.74
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.7
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.74
IX15-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-
4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
A1XBO0.75
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.71
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.73
1DMN-(2-MORPHOLIN-4-YL-1-MORPHOLIN-
4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-
TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-2-YLOXY)-BENZAMIDE
D,E,F,G,H1PZI0.72
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.74
RUTRUTINA,B1RY80.74
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.73
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.72