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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02135027

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
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.7
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.75
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.72
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,B3C9W0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
FDSFLUORESCINH4FAB0.71
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.71
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP60.71
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.74
EQIEQUILINA,B1EQU0.74
VXXVANILLATEA,B1WB60.78
ANN4-METHOXYBENZOIC ACIDA2B960.75
ANN4-METHOXYBENZOIC ACIDA2QUE0.75
ANN4-METHOXYBENZOIC ACIDA1SV30.75
ANN4-METHOXYBENZOIC ACIDA1O2E0.75
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.75
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.75
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.7
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.7
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.8
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.8
1676-CARBAMIMIDOYL-2-[2-HYDROXY-5-
(3-METHOXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ60.71
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.71
EQUEQUILENINA,B1OGX0.72
EQUEQUILENINA,B,C,D,E,F1QJG0.72
EQUEQUILENINA,B1OH00.72
EQUEQUILENINA1W6Y0.72
EQUEQUILENINA,B1CQS0.72
EQUEQUILENINA1OGZ0.72
EQUEQUILENINA1GS30.72
EQUEQUILENINA1OHO0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.78
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.78
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.77
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE
A2E140.73
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.71
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.71
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.74
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.86
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.76
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.7
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID
A,B1JJT0.78
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O650.71
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.71
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.71
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.7
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,D1SA10.71
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.76
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
MAXMATAIRESINOLA2BGM0.8
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.7
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,G1MZN0.7
SIGSTIGMATELLINC,D,E2BCC0.76
SIGSTIGMATELLINC,D,E3BCC0.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.7
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.71
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
D,F2C290.71
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.76
RWFR-WARFARINA,B2BXD0.72
3MB3-METHOXYBENZAMIDEA3PAX0.72
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.72
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,L,R1Q900.73
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,G2E760.73
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,E,N,
O,P,Q,R
1VF50.73
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE
A2GD80.74
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.73
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.8
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.72
8MOMETHOXSALENA,B,C,D1Z110.72
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.74
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
ESOO3-PHOSPHONOESTRONEB,C1ESS0.72
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.75
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ20.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.7
BZFBENZOFURANA182L0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
SWFS-WARFARINA,B1OG50.72
GENGENISTEINA1QKM0.73
GENGENISTEINA,B1X7J0.73
GENGENISTEINA,B2QA80.73
GENGENISTEINA1X7R0.73
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O640.7
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.74
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R
3H1I0.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.75
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CXH0.75
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.75
SMASTIGMATELLIN AC,H,L,M2JBL0.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.75
SMASTIGMATELLIN AA,C,D,E1KB90.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.75
SMASTIGMATELLIN AC,D,E2IBZ0.75
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CX50.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2FYN0.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJY0.75
SMASTIGMATELLIN AC,D,E1EZV0.75
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.75
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S
3H1J0.75
SMASTIGMATELLIN AC,D,E1SQX0.75
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
REF2,3,7,8-tetrahydroxychromeno[5,4,3-
cde]chromene-5,10-dione
A2ZJW0.71
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.7
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.74
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.71
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.71
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.77
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.71
SYRSYRINGATEA,B1WB50.75
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.71
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.72
MOAMYCOPHENOLIC ACIDA1ME70.71
MOAMYCOPHENOLIC ACIDA,B1JR10.71
MOAMYCOPHENOLIC ACIDA1MEI0.71
MOAMYCOPHENOLIC ACIDA1MEH0.71
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate
A3BET0.73
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.74
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.75
CIOCILOMILASTA,B1XOM0.76
CIOCILOMILASTA,B1XLX0.76