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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02995065

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2LP2-ALLYLPHENOLA1OV50.8
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.78
PHQFORMIC ACID BENZYL ESTERA1KJO0.78
PHQFORMIC ACID BENZYL ESTERI2CDR0.78
PHQFORMIC ACID BENZYL ESTERI2C1E0.78
PHQFORMIC ACID BENZYL ESTERI5PAD0.78
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.78
PHQFORMIC ACID BENZYL ESTERA2CNO0.78
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.78
PHQFORMIC ACID BENZYL ESTERI2AZ90.78
PHQFORMIC ACID BENZYL ESTERI2C2K0.78
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.78
PHQFORMIC ACID BENZYL ESTERA1KJP0.78
PHQFORMIC ACID BENZYL ESTERI2C2M0.78
PHQFORMIC ACID BENZYL ESTERI2AZB0.78
PHQFORMIC ACID BENZYL ESTERA9HVP0.78
PHQFORMIC ACID BENZYL ESTERA1ESB0.78
PHQFORMIC ACID BENZYL ESTERE,F1DY80.78
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.78
PHQFORMIC ACID BENZYL ESTERI1GEC0.78
PHQFORMIC ACID BENZYL ESTERA1KS70.78
PHQFORMIC ACID BENZYL ESTERC1A8G0.78
PHQFORMIC ACID BENZYL ESTERA1KKK0.78
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.78
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.78
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.78
PHQFORMIC ACID BENZYL ESTERA1KTO0.78
PHQFORMIC ACID BENZYL ESTERA,C1TG10.78
PHQFORMIC ACID BENZYL ESTERI2AZ80.78
PHQFORMIC ACID BENZYL ESTERA,B2G580.78
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.78
PHQFORMIC ACID BENZYL ESTERI2CJY0.78
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.78
PHQFORMIC ACID BENZYL ESTERA1KR60.78
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.78
PHQFORMIC ACID BENZYL ESTERA1KRO0.78
PHQFORMIC ACID BENZYL ESTERI2CNN0.78
PHQFORMIC ACID BENZYL ESTERI2C2O0.78
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.78
PHQFORMIC ACID BENZYL ESTERA,B1THE0.78
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.78
PHQFORMIC ACID BENZYL ESTERE,I5EST0.78
PHQFORMIC ACID BENZYL ESTERI2CNK0.78
PHQFORMIC ACID BENZYL ESTERA1KL60.78
PHQFORMIC ACID BENZYL ESTERI6PAD0.78
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.78
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
RSOR-STYRENE OXIDEA,B1PWZ0.84
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.74
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.73
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.75
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
HC4A1TS60.7
HC4A3PHY0.7
HC4A3PYP0.7
HC4A1T1C0.7
HC4A1OT60.7
HC4A1TS00.7
HC4A1T1A0.7
HC4A2PYP0.7
HC4A2ZOI0.7
HC4A1OTI0.7
HC4A1XFQ0.7
HC4A2D010.7
HC4A,B,C,D,E,F,
G,H
2O7B0.7
HC4A2ZOH0.7
HC4A1GSW0.7
HC4A2QJ70.7
HC4A1F9I0.7
HC4X1UWP0.7
HC4A2PHY0.7
HC4A1T1B0.7
HC4A1F980.7
HC4A1T190.7
HC4X1UWN0.7
HC4A,B,C,D,E,F,
G,H
2O7F0.7
HC4A1UGU0.7
HC4A1TS80.7
HC4A,B1OTD0.7
HC4A1OTE0.7
HC4A1GSX0.7
HC4A1TS70.7
HC4A2PYR0.7
HC4A1S4S0.7
HC4A1GSV0.7
HC4A2I9V0.7
HC4A2QWS0.7
HC4A1XFN0.7
HC4A1S4R0.7
HC4A1T180.7
HC4A1OTA0.7
HC4A1D7E0.7
HC4A1S1Z0.7
HC4A,B,C1MZU0.7
HC4A,B1ODV0.7
HC4A,B2J3J0.7
HC4A2QJ50.7
HC4A1OTB0.7
HC4A2D020.7
HC4A1OT90.7
HC4A1NWZ0.7
HC4A1S1Y0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
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
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.77
SS11-PHENYLETHANOLH1UM50.86
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
CRSM-CRESOLA,B,C,D1EV30.77
CRSM-CRESOLA,B,C,D,E,F2OMG0.77
CRSM-CRESOLA,B1UZ90.77
CRSM-CRESOLA,B,C,D1ZEH0.77
CRSM-CRESOLA,B,C,D,E,F1ZEI0.77
CRSM-CRESOLA,C,D,E7INS0.77
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.77
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
ETY4-ethylphenolA,B,C,D2RA60.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.78
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.72
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
2PIS0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.79
MBD3-METHYLCATECHOLA1KNF0.72
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.7
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.77
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.75
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
ANFANTHRONEH2BJM0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.76
BFLA,B1Q4G0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.84
1NP1-NAPHTHOLX2ZVQ0.73
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.86
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.86
SS2(1R)-1-PHENYLETHANOLA1ZJY0.86
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.78
SMN(S)-MANDELIC ACIDA1MDL0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.76
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
PCRP-CRESOLA1JHV0.78
PCRP-CRESOLA1JHU0.78
PCRP-CRESOLA,B,C,D1DIQ0.78
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.75
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.71
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.78
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
OBZO-benzylhydroxylamineA,B3DTH0.75
OBZO-benzylhydroxylamineA,B3DTG0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.81
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.73
341(3,5-difluorophenyl)methanolC3EON0.76
PEL2-PHENYL-ETHANOLA,B1I0D0.78
PEL2-PHENYL-ETHANOLD,H2I0T0.78
PEL2-PHENYL-ETHANOLA,B1HZY0.78
PEL2-PHENYL-ETHANOLA,B1I0B0.78
PEL2-PHENYL-ETHANOLA1EYW0.78
PEL2-PHENYL-ETHANOLA,B1JGM0.78
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.78