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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02452119

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MBOMERCURIBENZOIC ACIDA2QO80.71
MBOMERCURIBENZOIC ACIDA1LUG0.71
MBOMERCURIBENZOIC ACIDA2HOC0.71
MBOMERCURIBENZOIC ACIDA3EFI0.71
MBOMERCURIBENZOIC ACIDA3BL00.71
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.71
MBOMERCURIBENZOIC ACIDA3CAJ0.71
MBOMERCURIBENZOIC ACIDA1DR70.71
MBOMERCURIBENZOIC ACIDA2HL40.71
MBOMERCURIBENZOIC ACIDA2GD80.71
MBOMERCURIBENZOIC ACIDA2QP60.71
MBOMERCURIBENZOIC ACIDA2HD60.71
MBOMERCURIBENZOIC ACIDA3C7P0.71
MBOMERCURIBENZOIC ACIDA,B2JHN0.71
MBOMERCURIBENZOIC ACIDA1DR60.71
MBOMERCURIBENZOIC ACIDA2HNC0.71
MBOMERCURIBENZOIC ACIDA2QOA0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.71
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.7
VXXVANILLATEA,B1WB60.72
BAD(1S)-2-amino-1-phenylethyl 6-O-
beta-L-glucopyranosyl-alpha-D-mannopyranoside		A2QJE0.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.72
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.73
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.7
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.7
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.7
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.7
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.7
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.71
SMN(S)-MANDELIC ACIDA1MDL0.73
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.72
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
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE		B1O1S0.75
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2BT40.71
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.71
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.72
MAXMATAIRESINOLA2BGM0.7
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose		A2VGD0.73
SYRSYRINGATEA,B1WB50.7
RMN(R)-MANDELIC ACIDA1MDL0.73
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.73
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		A2E140.71
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID		A2OFF0.75
4FCA1YSG0.7
PHTPHTHALIC ACIDA,B,C2B7P0.7
PHTPHTHALIC ACIDA3C2V0.7
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.7
PHTPHTHALIC ACIDA,B3C2R0.7
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,B3C9W0.71
S1ASORAPHEN AA,B3GID0.83
S1ASORAPHEN AA,B,C1W960.83
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.7
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.72
BEZBENZOIC ACIDA,B2F8D0.71
BEZBENZOIC ACIDA,B1A8U0.71
BEZBENZOIC ACIDA,B1REE0.71
BEZBENZOIC ACIDA1L7Q0.71
BEZBENZOIC ACIDA1I690.71
BEZBENZOIC ACIDH,L1RUL0.71
BEZBENZOIC ACIDA,B3CCF0.71
BEZBENZOIC ACIDA1W9Q0.71
BEZBENZOIC ACIDA,B,G,J2DU80.71
BEZBENZOIC ACIDH,L1RUA0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.71
BEZBENZOIC ACIDH,L1RU90.71
BEZBENZOIC ACIDA,B,C,D2V320.71
BEZBENZOIC ACIDA2QMQ0.71
BEZBENZOIC ACIDA1UKB0.71
BEZBENZOIC ACIDA,B1RED0.71
BEZBENZOIC ACIDA,B1OC30.71
BEZBENZOIC ACIDA,B1REF0.71
BEZBENZOIC ACIDA,B2O020.71
BEZBENZOIC ACIDA,B2VJ10.71
BEZBENZOIC ACIDA,B,C1WSP0.71
BEZBENZOIC ACIDA1HZ40.71
BEZBENZOIC ACIDA2Q380.71
BEZBENZOIC ACIDA,B,C,D1UUJ0.71
BEZBENZOIC ACIDA,B2QL80.71
BEZBENZOIC ACIDA2Q0I0.71
BEZBENZOIC ACIDA,B1S8F0.71
BEZBENZOIC ACIDD,E,F,G,H1DJR0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.71
BEZBENZOIC ACIDA,B,C,D1I7Q0.71
BEZBENZOIC ACIDA,B,C,D2RHM0.71
BEZBENZOIC ACIDA,B2F780.71
BEZBENZOIC ACIDA,B2VL20.71
BEZBENZOIC ACIDA1HD20.71
BEZBENZOIC ACIDA1JU40.71
BEZBENZOIC ACIDH,L2AJY0.71
BEZBENZOIC ACIDA,B,C3GV10.71
BEZBENZOIC ACIDA2Q6U0.71
BEZBENZOIC ACIDA,B1VE90.71
BEZBENZOIC ACIDA,B1S9A0.71
BEZBENZOIC ACIDH,L,M1OP30.71
BEZBENZOIC ACIDA1W9E0.71
BEZBENZOIC ACIDA,B,C,D2V2G0.71
BEZBENZOIC ACIDH,L2AK10.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.71
BEZBENZOIC ACIDA,B1GYX0.71
BEZBENZOIC ACIDA1V1T0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.71
BEZBENZOIC ACIDA,B1HKQ0.71
BEZBENZOIC ACIDH,L1RUK0.71
BEZBENZOIC ACIDA2Q1B0.71
BEZBENZOIC ACIDH,L1RUM0.71
BEZBENZOIC ACIDA,B2F7A0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.71
BEZBENZOIC ACIDA,B2V7B0.71
BEZBENZOIC ACIDH1NCW0.71
BEZBENZOIC ACIDA,B1TMX0.71
BEZBENZOIC ACIDA1URM0.71
BEZBENZOIC ACIDA1W9O0.71
BEZBENZOIC ACIDA,B,C,D1GXS0.71
BEZBENZOIC ACIDH1RUP0.71
BEZBENZOIC ACIDA,B,C,D1KQB0.71
BEZBENZOIC ACIDA2Q9R0.71
BEZBENZOIC ACIDD,H2OK60.71
BEZBENZOIC ACIDA,B2Q0J0.71
AI73-(heptyloxy)benzoic acidA,B2O3Z0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.79
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.71
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.71
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.73
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.81
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,G1MZN0.81
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.71
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.73
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.71