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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00107608

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.76
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.74
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.76
EQIEQUILINA,B1EQU0.73
SMN(S)-MANDELIC ACIDA1MDL0.72
173BENZOYL-FORMIC ACIDA,B1SZE0.75
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.87
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.87
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.73
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.75
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.8
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.75
OSB2-SUCCINYLBENZOATEA1FHV0.87
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.87
OSB2-SUCCINYLBENZOATEA,B2QVH0.87
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.78
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.76
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.86
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.7
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.75
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.74
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.74
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.81
PHTPHTHALIC ACIDA,B,C2B7P0.82
PHTPHTHALIC ACIDA3C2V0.82
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.82
PHTPHTHALIC ACIDA,B3C2R0.82
BEZBENZOIC ACIDA,B2F8D0.78
BEZBENZOIC ACIDA,B1A8U0.78
BEZBENZOIC ACIDA,B1REE0.78
BEZBENZOIC ACIDA1L7Q0.78
BEZBENZOIC ACIDA1I690.78
BEZBENZOIC ACIDH,L1RUL0.78
BEZBENZOIC ACIDA,B3CCF0.78
BEZBENZOIC ACIDA1W9Q0.78
BEZBENZOIC ACIDA,B,G,J2DU80.78
BEZBENZOIC ACIDH,L1RUA0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.78
BEZBENZOIC ACIDH,L1RU90.78
BEZBENZOIC ACIDA,B,C,D2V320.78
BEZBENZOIC ACIDA2QMQ0.78
BEZBENZOIC ACIDA1UKB0.78
BEZBENZOIC ACIDA,B1RED0.78
BEZBENZOIC ACIDA,B1OC30.78
BEZBENZOIC ACIDA,B1REF0.78
BEZBENZOIC ACIDA,B2O020.78
BEZBENZOIC ACIDA,B2VJ10.78
BEZBENZOIC ACIDA,B,C1WSP0.78
BEZBENZOIC ACIDA1HZ40.78
BEZBENZOIC ACIDA2Q380.78
BEZBENZOIC ACIDA,B,C,D1UUJ0.78
BEZBENZOIC ACIDA,B2QL80.78
BEZBENZOIC ACIDA2Q0I0.78
BEZBENZOIC ACIDA,B1S8F0.78
BEZBENZOIC ACIDD,E,F,G,H1DJR0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.78
BEZBENZOIC ACIDA,B,C,D1I7Q0.78
BEZBENZOIC ACIDA,B,C,D2RHM0.78
BEZBENZOIC ACIDA,B2F780.78
BEZBENZOIC ACIDA,B2VL20.78
BEZBENZOIC ACIDA1HD20.78
BEZBENZOIC ACIDA1JU40.78
BEZBENZOIC ACIDH,L2AJY0.78
BEZBENZOIC ACIDA,B,C3GV10.78
BEZBENZOIC ACIDA2Q6U0.78
BEZBENZOIC ACIDA,B1VE90.78
BEZBENZOIC ACIDA,B1S9A0.78
BEZBENZOIC ACIDH,L,M1OP30.78
BEZBENZOIC ACIDA1W9E0.78
BEZBENZOIC ACIDA,B,C,D2V2G0.78
BEZBENZOIC ACIDH,L2AK10.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.78
BEZBENZOIC ACIDA,B1GYX0.78
BEZBENZOIC ACIDA1V1T0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.78
BEZBENZOIC ACIDA,B1HKQ0.78
BEZBENZOIC ACIDH,L1RUK0.78
BEZBENZOIC ACIDA2Q1B0.78
BEZBENZOIC ACIDH,L1RUM0.78
BEZBENZOIC ACIDA,B2F7A0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.78
BEZBENZOIC ACIDA,B2V7B0.78
BEZBENZOIC ACIDH1NCW0.78
BEZBENZOIC ACIDA,B1TMX0.78
BEZBENZOIC ACIDA1URM0.78
BEZBENZOIC ACIDA1W9O0.78
BEZBENZOIC ACIDA,B,C,D1GXS0.78
BEZBENZOIC ACIDH1RUP0.78
BEZBENZOIC ACIDA,B,C,D1KQB0.78
BEZBENZOIC ACIDA2Q9R0.78
BEZBENZOIC ACIDD,H2OK60.78
BEZBENZOIC ACIDA,B2Q0J0.78
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
EQUEQUILENINA,B1OGX0.77
EQUEQUILENINA,B,C,D,E,F1QJG0.77
EQUEQUILENINA,B1OH00.77
EQUEQUILENINA1W6Y0.77
EQUEQUILENINA,B1CQS0.77
EQUEQUILENINA1OGZ0.77
EQUEQUILENINA1GS30.77
EQUEQUILENINA1OHO0.77
TRZTRAZEOLIDEA1C120.83
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.76
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.77
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.77
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.89
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.74
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.81
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.78
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.77
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.74
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.73
OX1H,Y1LO20.76
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.76
PMAPYROMELLITIC ACIDA,B1FUP0.81
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.8
MBOMERCURIBENZOIC ACIDA2QO80.78
MBOMERCURIBENZOIC ACIDA1LUG0.78
MBOMERCURIBENZOIC ACIDA2HOC0.78
MBOMERCURIBENZOIC ACIDA3EFI0.78
MBOMERCURIBENZOIC ACIDA3BL00.78
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.78
MBOMERCURIBENZOIC ACIDA3CAJ0.78
MBOMERCURIBENZOIC ACIDA1DR70.78
MBOMERCURIBENZOIC ACIDA2HL40.78
MBOMERCURIBENZOIC ACIDA2GD80.78
MBOMERCURIBENZOIC ACIDA2QP60.78
MBOMERCURIBENZOIC ACIDA2HD60.78
MBOMERCURIBENZOIC ACIDA3C7P0.78
MBOMERCURIBENZOIC ACIDA,B2JHN0.78
MBOMERCURIBENZOIC ACIDA1DR60.78
MBOMERCURIBENZOIC ACIDA2HNC0.78
MBOMERCURIBENZOIC ACIDA2QOA0.78
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.74
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.77
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.77
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.74
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.74
26CA,B2F7I0.84
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ40.7
PHBP-HYDROXYBENZOIC ACIDA1DOB0.7
PHBP-HYDROXYBENZOIC ACIDA1PXB0.7
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.7
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.7
PHBP-HYDROXYBENZOIC ACIDA1IUV0.7
PHBP-HYDROXYBENZOIC ACIDA1PBE0.7
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.7
PHBP-HYDROXYBENZOIC ACIDA1PDH0.7
PHBP-HYDROXYBENZOIC ACIDB2BUW0.7
PHBP-HYDROXYBENZOIC ACIDA1CC40.7
PHBP-HYDROXYBENZOIC ACIDA1CC60.7
PHBP-HYDROXYBENZOIC ACIDA1IUW0.7
PHBP-HYDROXYBENZOIC ACIDA1FW90.7
PHBP-HYDROXYBENZOIC ACIDA1G810.7
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.7
PHBP-HYDROXYBENZOIC ACIDA1IUX0.7
PHBP-HYDROXYBENZOIC ACIDA1CJ30.7
PHBP-HYDROXYBENZOIC ACIDA1D7L0.7
PHBP-HYDROXYBENZOIC ACIDA2PHH0.7
PHBP-HYDROXYBENZOIC ACIDA1BGN0.7
PHBP-HYDROXYBENZOIC ACIDA1PXA0.7
PHBP-HYDROXYBENZOIC ACIDA1DOC0.7
PHBP-HYDROXYBENZOIC ACIDA1K0I0.7
PHBP-HYDROXYBENZOIC ACIDA1BKW0.7
PHBP-HYDROXYBENZOIC ACIDA1JD30.7
PHBP-HYDROXYBENZOIC ACIDA1PXC0.7
PHBP-HYDROXYBENZOIC ACIDA1TT80.7
PHBP-HYDROXYBENZOIC ACIDA1CJ20.7
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.7
PHBP-HYDROXYBENZOIC ACIDA1BF30.7
PHBP-HYDROXYBENZOIC ACIDB2BUR0.7
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.7
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.81
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
ANQACENAPHTHENEQUINONEH,J1OAX0.73
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.73
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.7
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.87
BFLA,B1Q4G0.75
FBCA,B2B9A0.84
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.77
FHIA,B1Y1D0.73
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
4FCA1YSG0.85
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.79
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.83
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.76
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,G1MZN0.76
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
A,D1RDT0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.71
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.72
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.77