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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02215352

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.84
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
RSOR-STYRENE OXIDEA,B1PWZ0.84
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.73
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.78
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
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
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
SS11-PHENYLETHANOLH1UM50.78
4FCA1YSG0.71
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.7
HCIHYDROCINNAMIC ACIDA,B1TOG0.7
HCIHYDROCINNAMIC ACIDA,B1V2F0.7
HCIHYDROCINNAMIC ACIDA,B1AHX0.7
HCIHYDROCINNAMIC ACIDA1TOI0.7
HCIHYDROCINNAMIC ACIDA,B1AY80.7
HCIHYDROCINNAMIC ACIDA1TOJ0.7
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.72
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,G1MZN0.72
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.85
PHQFORMIC ACID BENZYL ESTERA1KJO0.85
PHQFORMIC ACID BENZYL ESTERI2CDR0.85
PHQFORMIC ACID BENZYL ESTERI2C1E0.85
PHQFORMIC ACID BENZYL ESTERI5PAD0.85
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.85
PHQFORMIC ACID BENZYL ESTERA2CNO0.85
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.85
PHQFORMIC ACID BENZYL ESTERI2AZ90.85
PHQFORMIC ACID BENZYL ESTERI2C2K0.85
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.85
PHQFORMIC ACID BENZYL ESTERA1KJP0.85
PHQFORMIC ACID BENZYL ESTERI2C2M0.85
PHQFORMIC ACID BENZYL ESTERI2AZB0.85
PHQFORMIC ACID BENZYL ESTERA9HVP0.85
PHQFORMIC ACID BENZYL ESTERA1ESB0.85
PHQFORMIC ACID BENZYL ESTERE,F1DY80.85
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.85
PHQFORMIC ACID BENZYL ESTERI1GEC0.85
PHQFORMIC ACID BENZYL ESTERA1KS70.85
PHQFORMIC ACID BENZYL ESTERC1A8G0.85
PHQFORMIC ACID BENZYL ESTERA1KKK0.85
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.85
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.85
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.85
PHQFORMIC ACID BENZYL ESTERA1KTO0.85
PHQFORMIC ACID BENZYL ESTERA,C1TG10.85
PHQFORMIC ACID BENZYL ESTERI2AZ80.85
PHQFORMIC ACID BENZYL ESTERA,B2G580.85
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.85
PHQFORMIC ACID BENZYL ESTERI2CJY0.85
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.85
PHQFORMIC ACID BENZYL ESTERA1KR60.85
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.85
PHQFORMIC ACID BENZYL ESTERA1KRO0.85
PHQFORMIC ACID BENZYL ESTERI2CNN0.85
PHQFORMIC ACID BENZYL ESTERI2C2O0.85
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.85
PHQFORMIC ACID BENZYL ESTERA,B1THE0.85
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.85
PHQFORMIC ACID BENZYL ESTERE,I5EST0.85
PHQFORMIC ACID BENZYL ESTERI2CNK0.85
PHQFORMIC ACID BENZYL ESTERA1KL60.85
PHQFORMIC ACID BENZYL ESTERI6PAD0.85
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.85
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.73
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1BLH0.7
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1AXB0.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
SMN(S)-MANDELIC ACIDA1MDL0.75
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
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
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.83
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
FBCA,B2B9A0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.76
RMN(R)-MANDELIC ACIDA1MDL0.75
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.75
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.7
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
26CA,B2F7I0.7
S1ASORAPHEN AA,B3GID0.71
S1ASORAPHEN AA,B,C1W960.71
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.81
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.74
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.7
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
959benzyl (2-oxopropyl)carbamateA3D620.74
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
BFLA,B1Q4G0.74
OBZO-benzylhydroxylamineA,B3DTH0.74
OBZO-benzylhydroxylamineA,B3DTG0.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.74
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.75
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.75
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72