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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02371067

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.74
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,G1MZN0.74
959benzyl (2-oxopropyl)carbamateA3D620.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.74
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
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
SMN(S)-MANDELIC ACIDA1MDL0.7
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.74
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.78
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.7
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.71
FLPFLURBIPROFENA,B,C,D3PGH0.74
FLPFLURBIPROFENA,B1CQE0.74
FLPFLURBIPROFENA,B1EQH0.74
FLPFLURBIPROFENA,B2AYL0.74
FLPFLURBIPROFENA1DVT0.74
FLPFLURBIPROFENA1R9O0.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
SS11-PHENYLETHANOLH1UM50.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
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
RSOR-STYRENE OXIDEA,B1PWZ0.78
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.72
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.82
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.7
NOANAPHTHYLOXYACETIC ACIDI1IVP0.7
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
FBCA,B2B9A0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
BFLA,B1Q4G0.77
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.8
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.71
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.71
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,D1RDT0.77
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.76
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
S1ASORAPHEN AA,B3GID0.71
S1ASORAPHEN AA,B,C1W960.71
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.72
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.74
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
4FCA1YSG0.73
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.83
PHQFORMIC ACID BENZYL ESTERA1KJO0.83
PHQFORMIC ACID BENZYL ESTERI2CDR0.83
PHQFORMIC ACID BENZYL ESTERI2C1E0.83
PHQFORMIC ACID BENZYL ESTERI5PAD0.83
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.83
PHQFORMIC ACID BENZYL ESTERA2CNO0.83
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.83
PHQFORMIC ACID BENZYL ESTERI2AZ90.83
PHQFORMIC ACID BENZYL ESTERI2C2K0.83
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.83
PHQFORMIC ACID BENZYL ESTERA1KJP0.83
PHQFORMIC ACID BENZYL ESTERI2C2M0.83
PHQFORMIC ACID BENZYL ESTERI2AZB0.83
PHQFORMIC ACID BENZYL ESTERA9HVP0.83
PHQFORMIC ACID BENZYL ESTERA1ESB0.83
PHQFORMIC ACID BENZYL ESTERE,F1DY80.83
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.83
PHQFORMIC ACID BENZYL ESTERI1GEC0.83
PHQFORMIC ACID BENZYL ESTERA1KS70.83
PHQFORMIC ACID BENZYL ESTERC1A8G0.83
PHQFORMIC ACID BENZYL ESTERA1KKK0.83
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.83
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.83
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.83
PHQFORMIC ACID BENZYL ESTERA1KTO0.83
PHQFORMIC ACID BENZYL ESTERA,C1TG10.83
PHQFORMIC ACID BENZYL ESTERI2AZ80.83
PHQFORMIC ACID BENZYL ESTERA,B2G580.83
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.83
PHQFORMIC ACID BENZYL ESTERI2CJY0.83
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.83
PHQFORMIC ACID BENZYL ESTERA1KR60.83
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.83
PHQFORMIC ACID BENZYL ESTERA1KRO0.83
PHQFORMIC ACID BENZYL ESTERI2CNN0.83
PHQFORMIC ACID BENZYL ESTERI2C2O0.83
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.83
PHQFORMIC ACID BENZYL ESTERA,B1THE0.83
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.83
PHQFORMIC ACID BENZYL ESTERE,I5EST0.83
PHQFORMIC ACID BENZYL ESTERI2CNK0.83
PHQFORMIC ACID BENZYL ESTERA1KL60.83
PHQFORMIC ACID BENZYL ESTERI6PAD0.83
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.83
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
26CA,B2F7I0.72
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.7
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.7
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.7