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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02874751

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2MP3,4-DIMETHYLPHENOLA1L5O0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.74
B28A,B2E9A0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.79
ETY4-ethylphenolA,B,C,D2RA60.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.75
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
RSOR-STYRENE OXIDEA,B1PWZ0.72
SMN(S)-MANDELIC ACIDA1MDL0.74
341(3,5-difluorophenyl)methanolC3EON0.77
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.78
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
B08A,B2E990.74
PEL2-PHENYL-ETHANOLA,B1I0D0.79
PEL2-PHENYL-ETHANOLD,H2I0T0.79
PEL2-PHENYL-ETHANOLA,B1HZY0.79
PEL2-PHENYL-ETHANOLA,B1I0B0.79
PEL2-PHENYL-ETHANOLA1EYW0.79
PEL2-PHENYL-ETHANOLA,B1JGM0.79
ANFANTHRONEH2BJM0.73
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.73
PHQFORMIC ACID BENZYL ESTERA1KJO0.73
PHQFORMIC ACID BENZYL ESTERI2CDR0.73
PHQFORMIC ACID BENZYL ESTERI2C1E0.73
PHQFORMIC ACID BENZYL ESTERI5PAD0.73
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.73
PHQFORMIC ACID BENZYL ESTERA2CNO0.73
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.73
PHQFORMIC ACID BENZYL ESTERI2AZ90.73
PHQFORMIC ACID BENZYL ESTERI2C2K0.73
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.73
PHQFORMIC ACID BENZYL ESTERA1KJP0.73
PHQFORMIC ACID BENZYL ESTERI2C2M0.73
PHQFORMIC ACID BENZYL ESTERI2AZB0.73
PHQFORMIC ACID BENZYL ESTERA9HVP0.73
PHQFORMIC ACID BENZYL ESTERA1ESB0.73
PHQFORMIC ACID BENZYL ESTERE,F1DY80.73
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.73
PHQFORMIC ACID BENZYL ESTERI1GEC0.73
PHQFORMIC ACID BENZYL ESTERA1KS70.73
PHQFORMIC ACID BENZYL ESTERC1A8G0.73
PHQFORMIC ACID BENZYL ESTERA1KKK0.73
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.73
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.73
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.73
PHQFORMIC ACID BENZYL ESTERA1KTO0.73
PHQFORMIC ACID BENZYL ESTERA,C1TG10.73
PHQFORMIC ACID BENZYL ESTERI2AZ80.73
PHQFORMIC ACID BENZYL ESTERA,B2G580.73
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.73
PHQFORMIC ACID BENZYL ESTERI2CJY0.73
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.73
PHQFORMIC ACID BENZYL ESTERA1KR60.73
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.73
PHQFORMIC ACID BENZYL ESTERA1KRO0.73
PHQFORMIC ACID BENZYL ESTERI2CNN0.73
PHQFORMIC ACID BENZYL ESTERI2C2O0.73
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.73
PHQFORMIC ACID BENZYL ESTERA,B1THE0.73
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.73
PHQFORMIC ACID BENZYL ESTERE,I5EST0.73
PHQFORMIC ACID BENZYL ESTERI2CNK0.73
PHQFORMIC ACID BENZYL ESTERA1KL60.73
PHQFORMIC ACID BENZYL ESTERI6PAD0.73
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.81
BDBA,B1KE30.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.75
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
STLRESVERATROLA,B3CKL0.71
STLRESVERATROLA,B,C,D1U0W0.71
STLRESVERATROLA1CGZ0.71
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.71
STLRESVERATROLA1Z1F0.71
STLRESVERATROLA1DVS0.71
STLRESVERATROLA,B1SG00.71
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.75
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.87
OSB2-SUCCINYLBENZOATEA1FHV0.7
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.7
OSB2-SUCCINYLBENZOATEA,B2QVH0.7
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.74
2LP2-ALLYLPHENOLA1OV50.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
1NP1-NAPHTHOLX2ZVQ0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.73
OBZO-benzylhydroxylamineA,B3DTH0.78
OBZO-benzylhydroxylamineA,B3DTG0.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.84
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.73
26CA,B2F7I0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.76
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.73
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.76
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.71
BFLA,B1Q4G0.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.81
4FCA1YSG0.74
SS11-PHENYLETHANOLH1UM50.82
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.76
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.78
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.76
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.76
FBCA,B2B9A0.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.76
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.78
LJ33,5-dibromobiphenyl-4-olA,B3CN20.7