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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02411321

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.75
FBCA,B2B9A0.81
BEZBENZOIC ACIDA,B2F8D0.75
BEZBENZOIC ACIDA,B1A8U0.75
BEZBENZOIC ACIDA,B1REE0.75
BEZBENZOIC ACIDA1L7Q0.75
BEZBENZOIC ACIDA1I690.75
BEZBENZOIC ACIDH,L1RUL0.75
BEZBENZOIC ACIDA,B3CCF0.75
BEZBENZOIC ACIDA1W9Q0.75
BEZBENZOIC ACIDA,B,G,J2DU80.75
BEZBENZOIC ACIDH,L1RUA0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.75
BEZBENZOIC ACIDH,L1RU90.75
BEZBENZOIC ACIDA,B,C,D2V320.75
BEZBENZOIC ACIDA2QMQ0.75
BEZBENZOIC ACIDA1UKB0.75
BEZBENZOIC ACIDA,B1RED0.75
BEZBENZOIC ACIDA,B1OC30.75
BEZBENZOIC ACIDA,B1REF0.75
BEZBENZOIC ACIDA,B2O020.75
BEZBENZOIC ACIDA,B2VJ10.75
BEZBENZOIC ACIDA,B,C1WSP0.75
BEZBENZOIC ACIDA1HZ40.75
BEZBENZOIC ACIDA2Q380.75
BEZBENZOIC ACIDA,B,C,D1UUJ0.75
BEZBENZOIC ACIDA,B2QL80.75
BEZBENZOIC ACIDA2Q0I0.75
BEZBENZOIC ACIDA,B1S8F0.75
BEZBENZOIC ACIDD,E,F,G,H1DJR0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.75
BEZBENZOIC ACIDA,B,C,D1I7Q0.75
BEZBENZOIC ACIDA,B,C,D2RHM0.75
BEZBENZOIC ACIDA,B2F780.75
BEZBENZOIC ACIDA,B2VL20.75
BEZBENZOIC ACIDA1HD20.75
BEZBENZOIC ACIDA1JU40.75
BEZBENZOIC ACIDH,L2AJY0.75
BEZBENZOIC ACIDA,B,C3GV10.75
BEZBENZOIC ACIDA2Q6U0.75
BEZBENZOIC ACIDA,B1VE90.75
BEZBENZOIC ACIDA,B1S9A0.75
BEZBENZOIC ACIDH,L,M1OP30.75
BEZBENZOIC ACIDA1W9E0.75
BEZBENZOIC ACIDA,B,C,D2V2G0.75
BEZBENZOIC ACIDH,L2AK10.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.75
BEZBENZOIC ACIDA,B1GYX0.75
BEZBENZOIC ACIDA1V1T0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.75
BEZBENZOIC ACIDA,B1HKQ0.75
BEZBENZOIC ACIDH,L1RUK0.75
BEZBENZOIC ACIDA2Q1B0.75
BEZBENZOIC ACIDH,L1RUM0.75
BEZBENZOIC ACIDA,B2F7A0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.75
BEZBENZOIC ACIDA,B2V7B0.75
BEZBENZOIC ACIDH1NCW0.75
BEZBENZOIC ACIDA,B1TMX0.75
BEZBENZOIC ACIDA1URM0.75
BEZBENZOIC ACIDA1W9O0.75
BEZBENZOIC ACIDA,B,C,D1GXS0.75
BEZBENZOIC ACIDH1RUP0.75
BEZBENZOIC ACIDA,B,C,D1KQB0.75
BEZBENZOIC ACIDA2Q9R0.75
BEZBENZOIC ACIDD,H2OK60.75
BEZBENZOIC ACIDA,B2Q0J0.75
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.77
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.77
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.72
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.72
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
PMAPYROMELLITIC ACIDA,B1FUP0.86
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.76
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.76
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.73
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.73
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
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.75
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.74
34D3,5-DIHYDROXYBENZOATEA,B2BX70.72
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.74
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.71
4FCA1YSG0.82
PHTPHTHALIC ACIDA,B,C2B7P0.82
PHTPHTHALIC ACIDA3C2V0.82
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.82
PHTPHTHALIC ACIDA,B3C2R0.82
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.72
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,G1MZN0.72
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
26CA,B2F7I0.81
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.71
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
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.79
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.79
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.76
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.76
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.74
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.79
OX1H,Y1LO20.74
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.8
FHIA,B1Y1D0.72
OSB2-SUCCINYLBENZOATEA1FHV0.86
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.86
OSB2-SUCCINYLBENZOATEA,B2QVH0.86
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.8
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.8
TRZTRAZEOLIDEA1C120.77
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.78
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.76
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.8
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.71
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.74
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE
A1N5V0.7
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.72
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.7
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.71
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.72
MBOMERCURIBENZOIC ACIDA2QO80.75
MBOMERCURIBENZOIC ACIDA1LUG0.75
MBOMERCURIBENZOIC ACIDA2HOC0.75
MBOMERCURIBENZOIC ACIDA3EFI0.75
MBOMERCURIBENZOIC ACIDA3BL00.75
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.75
MBOMERCURIBENZOIC ACIDA3CAJ0.75
MBOMERCURIBENZOIC ACIDA1DR70.75
MBOMERCURIBENZOIC ACIDA2HL40.75
MBOMERCURIBENZOIC ACIDA2GD80.75
MBOMERCURIBENZOIC ACIDA2QP60.75
MBOMERCURIBENZOIC ACIDA2HD60.75
MBOMERCURIBENZOIC ACIDA3C7P0.75
MBOMERCURIBENZOIC ACIDA,B2JHN0.75
MBOMERCURIBENZOIC ACIDA1DR60.75
MBOMERCURIBENZOIC ACIDA2HNC0.75
MBOMERCURIBENZOIC ACIDA2QOA0.75
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.81
BFLA,B1Q4G0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.83
4MA4-METHYLBENZOIC ACIDA,H2HRG0.78
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.81
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.84
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.84
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.77
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.72
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ40.72
PHBP-HYDROXYBENZOIC ACIDA1DOB0.72
PHBP-HYDROXYBENZOIC ACIDA1PXB0.72
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.72
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUV0.72
PHBP-HYDROXYBENZOIC ACIDA1PBE0.72
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.72
PHBP-HYDROXYBENZOIC ACIDA1PDH0.72
PHBP-HYDROXYBENZOIC ACIDB2BUW0.72
PHBP-HYDROXYBENZOIC ACIDA1CC40.72
PHBP-HYDROXYBENZOIC ACIDA1CC60.72
PHBP-HYDROXYBENZOIC ACIDA1IUW0.72
PHBP-HYDROXYBENZOIC ACIDA1FW90.72
PHBP-HYDROXYBENZOIC ACIDA1G810.72
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUX0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ30.72
PHBP-HYDROXYBENZOIC ACIDA1D7L0.72
PHBP-HYDROXYBENZOIC ACIDA2PHH0.72
PHBP-HYDROXYBENZOIC ACIDA1BGN0.72
PHBP-HYDROXYBENZOIC ACIDA1PXA0.72
PHBP-HYDROXYBENZOIC ACIDA1DOC0.72
PHBP-HYDROXYBENZOIC ACIDA1K0I0.72
PHBP-HYDROXYBENZOIC ACIDA1BKW0.72
PHBP-HYDROXYBENZOIC ACIDA1JD30.72
PHBP-HYDROXYBENZOIC ACIDA1PXC0.72
PHBP-HYDROXYBENZOIC ACIDA1TT80.72
PHBP-HYDROXYBENZOIC ACIDA1CJ20.72
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.72
PHBP-HYDROXYBENZOIC ACIDA1BF30.72
PHBP-HYDROXYBENZOIC ACIDB2BUR0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.72