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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02512709

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.71
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.76
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.76
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.76
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.76
SMASTIGMATELLIN AC,H,L,M2JBL0.76
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.76
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.76
SMASTIGMATELLIN AA,C,D,E1KB90.76
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.76
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.76
SMASTIGMATELLIN AC,D,E2IBZ0.76
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.76
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.76
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.76
SMASTIGMATELLIN AC,D,E1EZV0.76
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.76
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.76
SMASTIGMATELLIN AC,D,E1SQX0.76
MOAMYCOPHENOLIC ACIDA1ME70.74
MOAMYCOPHENOLIC ACIDA,B1JR10.74
MOAMYCOPHENOLIC ACIDA1MEI0.74
MOAMYCOPHENOLIC ACIDA1MEH0.74
SWFS-WARFARINA,B1OG50.71
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.75
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2JJ30.74
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2QE40.74
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.75
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1KR30.77
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1HLK0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ20.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.71
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.76
SYRSYRINGATEA,B1WB50.71
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.75
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.73
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.74
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.75
AJA(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-
1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-
TETRAHYDRO-6H-BENZO[C]CHROMENE-
9-CARBOXYLIC ACID		A,B,C,D2OM90.73
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.7
CIOCILOMILASTA,B1XOM0.72
CIOCILOMILASTA,B1XLX0.72
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.76
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2I0G0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B,C,D2I0J0.72
S1ASORAPHEN AA,B3GID0.7
S1ASORAPHEN AA,B,C1W960.7
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.72
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.71
POD9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-
5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-
D][1,3]DIOXOL-6(5AH)-ONE		A,B,C,D1SA10.87
REF2,3,7,8-tetrahydroxychromeno[5,4,3-
cde]chromene-5,10-dione		A2ZJW0.77
SIGSTIGMATELLINC,D,E2BCC0.76
SIGSTIGMATELLINC,D,E3BCC0.76
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.72
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.76
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.75
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
HMK(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-
C]CHROMENE-3,6A(12AH)-DIOL		A1ZGA0.82
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.74
8MOMETHOXSALENA,B,C,D1Z110.78
AFN8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1A1N1N0.79
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.75
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.75
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.75
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.75
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.75
FDSFLUORESCINH4FAB0.72
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,L,R1Q900.74
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,G2E760.74
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,E,N,
O,P,Q,R		1VF50.74
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.7
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.71
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.72
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione		A,B3C9W0.71
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.75
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.75
RWFR-WARFARINA,B2BXD0.71
HMT(3beta)-O~3~-[(2R)-2,6-dihydroxy-
2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine		0,1,2,3,9,A,
B,C,F,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3G6E0.7
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.79
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2BT40.72
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.7
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.75
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.75
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O650.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.7
RUTRUTINA,B1RY80.75
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.77
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D3C1T0.72
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O630.72
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A1E900.72
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D2IOD0.72
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2Q700.7
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2Z4B0.7
NARNARINGENINA,B2UXU0.73
NARNARINGENINA2BRT0.73
NARNARINGENINA1CGK0.73
NARNARINGENINA,B1EYQ0.73
MAXMATAIRESINOLA2BGM0.75
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O640.73
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID		A,B1JJE0.79
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol		A,B2QTU0.72
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID		A,B1JJT0.81
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.78
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.72
P1S(6AR,12AR)-3-(HYDROXYMETHYL)-6H-
[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-
C]CHROMEN-6A(12AH)-OL		A1ZGJ0.81
GGTTrioxacarcin AA,B3C2J0.75
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.78
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.78