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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02876402

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE		A2PNU0.72
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.73
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one		A2GIU0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
ESOO3-PHOSPHONOESTRONEB,C1ESS0.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
IBPIBUPROFENA3FKX0.75
IBPIBUPROFENA,B2BXG0.75
IBPIBUPROFENA,B1EQG0.75
IBPIBUPROFENA,B,C2WD90.75
IBPIBUPROFENA2PWS0.75
BEZBENZOIC ACIDA,B2F8D0.73
BEZBENZOIC ACIDA,B1A8U0.73
BEZBENZOIC ACIDA,B1REE0.73
BEZBENZOIC ACIDA1L7Q0.73
BEZBENZOIC ACIDA1I690.73
BEZBENZOIC ACIDH,L1RUL0.73
BEZBENZOIC ACIDA,B3CCF0.73
BEZBENZOIC ACIDA1W9Q0.73
BEZBENZOIC ACIDA,B,G,J2DU80.73
BEZBENZOIC ACIDH,L1RUA0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.73
BEZBENZOIC ACIDH,L1RU90.73
BEZBENZOIC ACIDA,B,C,D2V320.73
BEZBENZOIC ACIDA2QMQ0.73
BEZBENZOIC ACIDA1UKB0.73
BEZBENZOIC ACIDA,B1RED0.73
BEZBENZOIC ACIDA,B1OC30.73
BEZBENZOIC ACIDA,B1REF0.73
BEZBENZOIC ACIDA,B2O020.73
BEZBENZOIC ACIDA,B2VJ10.73
BEZBENZOIC ACIDA,B,C1WSP0.73
BEZBENZOIC ACIDA1HZ40.73
BEZBENZOIC ACIDA2Q380.73
BEZBENZOIC ACIDA,B,C,D1UUJ0.73
BEZBENZOIC ACIDA,B2QL80.73
BEZBENZOIC ACIDA2Q0I0.73
BEZBENZOIC ACIDA,B1S8F0.73
BEZBENZOIC ACIDD,E,F,G,H1DJR0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.73
BEZBENZOIC ACIDA,B,C,D1I7Q0.73
BEZBENZOIC ACIDA,B,C,D2RHM0.73
BEZBENZOIC ACIDA,B2F780.73
BEZBENZOIC ACIDA,B2VL20.73
BEZBENZOIC ACIDA1HD20.73
BEZBENZOIC ACIDA1JU40.73
BEZBENZOIC ACIDH,L2AJY0.73
BEZBENZOIC ACIDA,B,C3GV10.73
BEZBENZOIC ACIDA2Q6U0.73
BEZBENZOIC ACIDA,B1VE90.73
BEZBENZOIC ACIDA,B1S9A0.73
BEZBENZOIC ACIDH,L,M1OP30.73
BEZBENZOIC ACIDA1W9E0.73
BEZBENZOIC ACIDA,B,C,D2V2G0.73
BEZBENZOIC ACIDH,L2AK10.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.73
BEZBENZOIC ACIDA,B1GYX0.73
BEZBENZOIC ACIDA1V1T0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.73
BEZBENZOIC ACIDA,B1HKQ0.73
BEZBENZOIC ACIDH,L1RUK0.73
BEZBENZOIC ACIDA2Q1B0.73
BEZBENZOIC ACIDH,L1RUM0.73
BEZBENZOIC ACIDA,B2F7A0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.73
BEZBENZOIC ACIDA,B2V7B0.73
BEZBENZOIC ACIDH1NCW0.73
BEZBENZOIC ACIDA,B1TMX0.73
BEZBENZOIC ACIDA1URM0.73
BEZBENZOIC ACIDA1W9O0.73
BEZBENZOIC ACIDA,B,C,D1GXS0.73
BEZBENZOIC ACIDH1RUP0.73
BEZBENZOIC ACIDA,B,C,D1KQB0.73
BEZBENZOIC ACIDA2Q9R0.73
BEZBENZOIC ACIDD,H2OK60.73
BEZBENZOIC ACIDA,B2Q0J0.73
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.76
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FD00.72
B08A,B2E990.7
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.77
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.74
TRZTRAZEOLIDEA1C120.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B3D2T0.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.71
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID		A1BZJ0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.78
EQUEQUILENINA,B1OGX0.77
EQUEQUILENINA,B,C,D,E,F1QJG0.77
EQUEQUILENINA,B1OH00.77
EQUEQUILENINA1W6Y0.77
EQUEQUILENINA,B1CQS0.77
EQUEQUILENINA1OGZ0.77
EQUEQUILENINA1GS30.77
EQUEQUILENINA1OHO0.77
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid		A3FUG0.71
7912-PHENYLMALONIC ACIDA1O4P0.74
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE		A,B1UUM0.79
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
FLPFLURBIPROFENA,B,C,D3PGH0.75
FLPFLURBIPROFENA,B1CQE0.75
FLPFLURBIPROFENA,B1EQH0.75
FLPFLURBIPROFENA,B2AYL0.75
FLPFLURBIPROFENA1DVT0.75
FLPFLURBIPROFENA1R9O0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.72
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.74
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
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.71
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.71
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.71
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.74
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.74
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.73
PHTPHTHALIC ACIDA,B,C2B7P0.72
PHTPHTHALIC ACIDA3C2V0.72
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.72
PHTPHTHALIC ACIDA,B3C2R0.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
FBCA,B2B9A0.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.77
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.77
BFLA,B1Q4G0.77
4FCA1YSG0.78
SMN(S)-MANDELIC ACIDA1MDL0.71
FHIA,B1Y1D0.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.81
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.72
OSB2-SUCCINYLBENZOATEA1FHV0.77
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.77
OSB2-SUCCINYLBENZOATEA,B2QVH0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.74
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE		B1O1S0.71
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.72
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione		A,B2ZI80.71
173BENZOYL-FORMIC ACIDA,B1SZE0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.77
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.7
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.75
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.82
26CA,B2F7I0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.71
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.74
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.81
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE		A,B1ZAF0.73
MBOMERCURIBENZOIC ACIDA2QO80.73
MBOMERCURIBENZOIC ACIDA1LUG0.73
MBOMERCURIBENZOIC ACIDA2HOC0.73
MBOMERCURIBENZOIC ACIDA3EFI0.73
MBOMERCURIBENZOIC ACIDA3BL00.73
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.73
MBOMERCURIBENZOIC ACIDA3CAJ0.73
MBOMERCURIBENZOIC ACIDA1DR70.73
MBOMERCURIBENZOIC ACIDA2HL40.73
MBOMERCURIBENZOIC ACIDA2GD80.73
MBOMERCURIBENZOIC ACIDA2QP60.73
MBOMERCURIBENZOIC ACIDA2HD60.73
MBOMERCURIBENZOIC ACIDA3C7P0.73
MBOMERCURIBENZOIC ACIDA,B2JHN0.73
MBOMERCURIBENZOIC ACIDA1DR60.73
MBOMERCURIBENZOIC ACIDA2HNC0.73
MBOMERCURIBENZOIC ACIDA2QOA0.73
EQIEQUILINA,B1EQU0.76
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid		A,B3BEJ0.72
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.73
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.72
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.72
OX1H,Y1LO20.78