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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03148679

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.82
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.82
FBCA,B2B9A0.81
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.74
SMN(S)-MANDELIC ACIDA1MDL0.72
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.75
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.75
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.7
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
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
4FCA1YSG0.81
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
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.78
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.85
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.7
26CA,B2F7I0.81
S1ASORAPHEN AA,B3GID0.7
S1ASORAPHEN AA,B,C1W960.7
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
DIC3,4-DICHLOROISOCOUMARINA1DIC0.77
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.95
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
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,D1RDT0.71
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.76
PHQFORMIC ACID BENZYL ESTERA1KJO0.76
PHQFORMIC ACID BENZYL ESTERI2CDR0.76
PHQFORMIC ACID BENZYL ESTERI2C1E0.76
PHQFORMIC ACID BENZYL ESTERI5PAD0.76
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.76
PHQFORMIC ACID BENZYL ESTERA2CNO0.76
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.76
PHQFORMIC ACID BENZYL ESTERI2AZ90.76
PHQFORMIC ACID BENZYL ESTERI2C2K0.76
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.76
PHQFORMIC ACID BENZYL ESTERA1KJP0.76
PHQFORMIC ACID BENZYL ESTERI2C2M0.76
PHQFORMIC ACID BENZYL ESTERI2AZB0.76
PHQFORMIC ACID BENZYL ESTERA9HVP0.76
PHQFORMIC ACID BENZYL ESTERA1ESB0.76
PHQFORMIC ACID BENZYL ESTERE,F1DY80.76
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.76
PHQFORMIC ACID BENZYL ESTERI1GEC0.76
PHQFORMIC ACID BENZYL ESTERA1KS70.76
PHQFORMIC ACID BENZYL ESTERC1A8G0.76
PHQFORMIC ACID BENZYL ESTERA1KKK0.76
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.76
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.76
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.76
PHQFORMIC ACID BENZYL ESTERA1KTO0.76
PHQFORMIC ACID BENZYL ESTERA,C1TG10.76
PHQFORMIC ACID BENZYL ESTERI2AZ80.76
PHQFORMIC ACID BENZYL ESTERA,B2G580.76
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.76
PHQFORMIC ACID BENZYL ESTERI2CJY0.76
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.76
PHQFORMIC ACID BENZYL ESTERA1KR60.76
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.76
PHQFORMIC ACID BENZYL ESTERA1KRO0.76
PHQFORMIC ACID BENZYL ESTERI2CNN0.76
PHQFORMIC ACID BENZYL ESTERI2C2O0.76
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.76
PHQFORMIC ACID BENZYL ESTERA,B1THE0.76
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.76
PHQFORMIC ACID BENZYL ESTERE,I5EST0.76
PHQFORMIC ACID BENZYL ESTERI2CNK0.76
PHQFORMIC ACID BENZYL ESTERA1KL60.76
PHQFORMIC ACID BENZYL ESTERI6PAD0.76
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.76
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.78
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.78
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.79
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.83
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,G1MZN0.83
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.8
PMAPYROMELLITIC ACIDA,B1FUP0.71
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.76
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.81
4MA4-METHYLBENZOIC ACIDA,H2HRG0.84
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.76
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.7
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.71
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.7
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
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
OSB2-SUCCINYLBENZOATEA1FHV0.75
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.75
OSB2-SUCCINYLBENZOATEA,B2QVH0.75
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.72
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.74
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
BFLA,B1Q4G0.75
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.72
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
AI73-(heptyloxy)benzoic acidA,B2O3Z0.78
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.78
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.77
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.77
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.72
PHTPHTHALIC ACIDA,B,C2B7P0.75
PHTPHTHALIC ACIDA3C2V0.75
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.75
PHTPHTHALIC ACIDA,B3C2R0.75
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72