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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02286734

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.75
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.72
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.8
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
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.7
PHQFORMIC ACID BENZYL ESTERA1KJO0.7
PHQFORMIC ACID BENZYL ESTERI2CDR0.7
PHQFORMIC ACID BENZYL ESTERI2C1E0.7
PHQFORMIC ACID BENZYL ESTERI5PAD0.7
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.7
PHQFORMIC ACID BENZYL ESTERA2CNO0.7
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.7
PHQFORMIC ACID BENZYL ESTERI2AZ90.7
PHQFORMIC ACID BENZYL ESTERI2C2K0.7
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.7
PHQFORMIC ACID BENZYL ESTERA1KJP0.7
PHQFORMIC ACID BENZYL ESTERI2C2M0.7
PHQFORMIC ACID BENZYL ESTERI2AZB0.7
PHQFORMIC ACID BENZYL ESTERA9HVP0.7
PHQFORMIC ACID BENZYL ESTERA1ESB0.7
PHQFORMIC ACID BENZYL ESTERE,F1DY80.7
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.7
PHQFORMIC ACID BENZYL ESTERI1GEC0.7
PHQFORMIC ACID BENZYL ESTERA1KS70.7
PHQFORMIC ACID BENZYL ESTERC1A8G0.7
PHQFORMIC ACID BENZYL ESTERA1KKK0.7
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.7
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.7
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.7
PHQFORMIC ACID BENZYL ESTERA1KTO0.7
PHQFORMIC ACID BENZYL ESTERA,C1TG10.7
PHQFORMIC ACID BENZYL ESTERI2AZ80.7
PHQFORMIC ACID BENZYL ESTERA,B2G580.7
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.7
PHQFORMIC ACID BENZYL ESTERI2CJY0.7
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.7
PHQFORMIC ACID BENZYL ESTERA1KR60.7
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.7
PHQFORMIC ACID BENZYL ESTERA1KRO0.7
PHQFORMIC ACID BENZYL ESTERI2CNN0.7
PHQFORMIC ACID BENZYL ESTERI2C2O0.7
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.7
PHQFORMIC ACID BENZYL ESTERA,B1THE0.7
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.7
PHQFORMIC ACID BENZYL ESTERE,I5EST0.7
PHQFORMIC ACID BENZYL ESTERI2CNK0.7
PHQFORMIC ACID BENZYL ESTERA1KL60.7
PHQFORMIC ACID BENZYL ESTERI6PAD0.7
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.7
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.7
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.75
7912-PHENYLMALONIC ACIDA1O4P0.72
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.85
PMAPYROMELLITIC ACIDA,B1FUP0.77
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.74
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
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.8
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.8
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.71
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.71
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.71
26CA,B2F7I0.82
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.71
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.71
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.71
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.71
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z
1QZV0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.85
OSB2-SUCCINYLBENZOATEA1FHV0.8
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.8
OSB2-SUCCINYLBENZOATEA,B2QVH0.8
S1ASORAPHEN AA,B3GID0.7
S1ASORAPHEN AA,B,C1W960.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
4FCA1YSG0.83
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.7
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.72
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.72
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.74
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.76
FBCA,B2B9A0.82
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
DFADIPHENYLACETIC ACIDA,B,C1GMY0.76
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.72
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.73
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.86
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,G1MZN0.86
173BENZOYL-FORMIC ACIDA,B1SZE0.72
OX1H,Y1LO20.74
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,D1RDT0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
BFLA,B1Q4G0.78
FDSFLUORESCINH4FAB0.7
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.73
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.73
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.71
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.81
FLPFLURBIPROFENA,B,C,D3PGH0.76
FLPFLURBIPROFENA,B1CQE0.76
FLPFLURBIPROFENA,B1EQH0.76
FLPFLURBIPROFENA,B2AYL0.76
FLPFLURBIPROFENA1DVT0.76
FLPFLURBIPROFENA1R9O0.76
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.81
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.79
PHTPHTHALIC ACIDA,B,C2B7P0.78
PHTPHTHALIC ACIDA3C2V0.78
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.78
PHTPHTHALIC ACIDA,B3C2R0.78
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
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
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.73
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.78
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.85
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.85
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.83
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
AI73-(heptyloxy)benzoic acidA,B2O3Z0.72
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.7
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.76
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.76
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.87
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.71
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.77
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.75
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.8
TRZTRAZEOLIDEA1C120.75
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.7
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.74
DIC3,4-DICHLOROISOCOUMARINA1DIC0.79