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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02379786

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S1ASORAPHEN AA,B3GID0.73
S1ASORAPHEN AA,B,C1W960.73
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.75
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.7
SMN(S)-MANDELIC ACIDA1MDL0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.7
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.77
173BENZOYL-FORMIC ACIDA,B1SZE0.75
4FCA1YSG0.79
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
PMAPYROMELLITIC ACIDA,B1FUP0.78
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
DIC3,4-DICHLOROISOCOUMARINA1DIC0.74
VXXVANILLATEA,B1WB60.7
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.8
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.8
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
MBOMERCURIBENZOIC ACIDA2QO80.79
MBOMERCURIBENZOIC ACIDA1LUG0.79
MBOMERCURIBENZOIC ACIDA2HOC0.79
MBOMERCURIBENZOIC ACIDA3EFI0.79
MBOMERCURIBENZOIC ACIDA3BL00.79
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.79
MBOMERCURIBENZOIC ACIDA3CAJ0.79
MBOMERCURIBENZOIC ACIDA1DR70.79
MBOMERCURIBENZOIC ACIDA2HL40.79
MBOMERCURIBENZOIC ACIDA2GD80.79
MBOMERCURIBENZOIC ACIDA2QP60.79
MBOMERCURIBENZOIC ACIDA2HD60.79
MBOMERCURIBENZOIC ACIDA3C7P0.79
MBOMERCURIBENZOIC ACIDA,B2JHN0.79
MBOMERCURIBENZOIC ACIDA1DR60.79
MBOMERCURIBENZOIC ACIDA2HNC0.79
MBOMERCURIBENZOIC ACIDA2QOA0.79
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.7
SAL2-HYDROXYBENZOIC ACIDA2I300.7
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.7
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.7
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.7
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.7
SAL2-HYDROXYBENZOIC ACIDA1WYG0.7
SAL2-HYDROXYBENZOIC ACIDA1JGS0.7
SAL2-HYDROXYBENZOIC ACIDX1M6E0.7
SAL2-HYDROXYBENZOIC ACIDA3B9M0.7
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.7
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.7
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.7
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.72
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.72
TRZTRAZEOLIDEA1C120.76
PHBP-HYDROXYBENZOIC ACIDA1CJ40.71
PHBP-HYDROXYBENZOIC ACIDA1DOB0.71
PHBP-HYDROXYBENZOIC ACIDA1PXB0.71
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.71
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.71
PHBP-HYDROXYBENZOIC ACIDA1IUV0.71
PHBP-HYDROXYBENZOIC ACIDA1PBE0.71
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.71
PHBP-HYDROXYBENZOIC ACIDA1PDH0.71
PHBP-HYDROXYBENZOIC ACIDB2BUW0.71
PHBP-HYDROXYBENZOIC ACIDA1CC40.71
PHBP-HYDROXYBENZOIC ACIDA1CC60.71
PHBP-HYDROXYBENZOIC ACIDA1IUW0.71
PHBP-HYDROXYBENZOIC ACIDA1FW90.71
PHBP-HYDROXYBENZOIC ACIDA1G810.71
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.71
PHBP-HYDROXYBENZOIC ACIDA1IUX0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ30.71
PHBP-HYDROXYBENZOIC ACIDA1D7L0.71
PHBP-HYDROXYBENZOIC ACIDA2PHH0.71
PHBP-HYDROXYBENZOIC ACIDA1BGN0.71
PHBP-HYDROXYBENZOIC ACIDA1PXA0.71
PHBP-HYDROXYBENZOIC ACIDA1DOC0.71
PHBP-HYDROXYBENZOIC ACIDA1K0I0.71
PHBP-HYDROXYBENZOIC ACIDA1BKW0.71
PHBP-HYDROXYBENZOIC ACIDA1JD30.71
PHBP-HYDROXYBENZOIC ACIDA1PXC0.71
PHBP-HYDROXYBENZOIC ACIDA1TT80.71
PHBP-HYDROXYBENZOIC ACIDA1CJ20.71
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.71
PHBP-HYDROXYBENZOIC ACIDA1BF30.71
PHBP-HYDROXYBENZOIC ACIDB2BUR0.71
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.81
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.76
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.76
PHTPHTHALIC ACIDA,B,C2B7P0.83
PHTPHTHALIC ACIDA3C2V0.83
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.83
PHTPHTHALIC ACIDA,B3C2R0.83
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.78
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.74
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.75
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID
A,B1JJT0.7
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.77
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.72
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.78
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,G1MZN0.78
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.77
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.78
OX1H,Y1LO20.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.73
34D3,5-DIHYDROXYBENZOATEA,B2BX70.71
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE
A1N5V0.72
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.78
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.78
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.77
FBCA,B2B9A0.78
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.76
3HB3-HYDROXYBENZOIC ACIDA2DKH0.76
7912-PHENYLMALONIC ACIDA1O4P0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.73
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.71
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
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
BFLA,B1Q4G0.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.79
26CA,B2F7I0.78
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,D1RDT0.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.77
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.74
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.73
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.72
OSB2-SUCCINYLBENZOATEA1FHV0.85
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.85
OSB2-SUCCINYLBENZOATEA,B2QVH0.85
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.76
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.76
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.76
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
BEZBENZOIC ACIDA,B2F8D0.79
BEZBENZOIC ACIDA,B1A8U0.79
BEZBENZOIC ACIDA,B1REE0.79
BEZBENZOIC ACIDA1L7Q0.79
BEZBENZOIC ACIDA1I690.79
BEZBENZOIC ACIDH,L1RUL0.79
BEZBENZOIC ACIDA,B3CCF0.79
BEZBENZOIC ACIDA1W9Q0.79
BEZBENZOIC ACIDA,B,G,J2DU80.79
BEZBENZOIC ACIDH,L1RUA0.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.79
BEZBENZOIC ACIDH,L1RU90.79
BEZBENZOIC ACIDA,B,C,D2V320.79
BEZBENZOIC ACIDA2QMQ0.79
BEZBENZOIC ACIDA1UKB0.79
BEZBENZOIC ACIDA,B1RED0.79
BEZBENZOIC ACIDA,B1OC30.79
BEZBENZOIC ACIDA,B1REF0.79
BEZBENZOIC ACIDA,B2O020.79
BEZBENZOIC ACIDA,B2VJ10.79
BEZBENZOIC ACIDA,B,C1WSP0.79
BEZBENZOIC ACIDA1HZ40.79
BEZBENZOIC ACIDA2Q380.79
BEZBENZOIC ACIDA,B,C,D1UUJ0.79
BEZBENZOIC ACIDA,B2QL80.79
BEZBENZOIC ACIDA2Q0I0.79
BEZBENZOIC ACIDA,B1S8F0.79
BEZBENZOIC ACIDD,E,F,G,H1DJR0.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.79
BEZBENZOIC ACIDA,B,C,D1I7Q0.79
BEZBENZOIC ACIDA,B,C,D2RHM0.79
BEZBENZOIC ACIDA,B2F780.79
BEZBENZOIC ACIDA,B2VL20.79
BEZBENZOIC ACIDA1HD20.79
BEZBENZOIC ACIDA1JU40.79
BEZBENZOIC ACIDH,L2AJY0.79
BEZBENZOIC ACIDA,B,C3GV10.79
BEZBENZOIC ACIDA2Q6U0.79
BEZBENZOIC ACIDA,B1VE90.79
BEZBENZOIC ACIDA,B1S9A0.79
BEZBENZOIC ACIDH,L,M1OP30.79
BEZBENZOIC ACIDA1W9E0.79
BEZBENZOIC ACIDA,B,C,D2V2G0.79
BEZBENZOIC ACIDH,L2AK10.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.79
BEZBENZOIC ACIDA,B1GYX0.79
BEZBENZOIC ACIDA1V1T0.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.79
BEZBENZOIC ACIDA,B1HKQ0.79
BEZBENZOIC ACIDH,L1RUK0.79
BEZBENZOIC ACIDA2Q1B0.79
BEZBENZOIC ACIDH,L1RUM0.79
BEZBENZOIC ACIDA,B2F7A0.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.79
BEZBENZOIC ACIDA,B2V7B0.79
BEZBENZOIC ACIDH1NCW0.79
BEZBENZOIC ACIDA,B1TMX0.79
BEZBENZOIC ACIDA1URM0.79
BEZBENZOIC ACIDA1W9O0.79
BEZBENZOIC ACIDA,B,C,D1GXS0.79
BEZBENZOIC ACIDH1RUP0.79
BEZBENZOIC ACIDA,B,C,D1KQB0.79
BEZBENZOIC ACIDA2Q9R0.79
BEZBENZOIC ACIDD,H2OK60.79
BEZBENZOIC ACIDA,B2Q0J0.79
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.78
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.72
MOAMYCOPHENOLIC ACIDA1ME70.71
MOAMYCOPHENOLIC ACIDA,B1JR10.71
MOAMYCOPHENOLIC ACIDA1MEI0.71
MOAMYCOPHENOLIC ACIDA1MEH0.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.72
BZSL-BENZYLSUCCINIC ACIDA1HYT0.72
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.72
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.71
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72