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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03236886

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
SMN(S)-MANDELIC ACIDA1MDL0.77
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.76
OBZO-benzylhydroxylamineA,B3DTH0.76
OBZO-benzylhydroxylamineA,B3DTG0.76
BFLA,B1Q4G0.71
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.85
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
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
2PIS0.72
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.72
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.76
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
1VQ60.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.74
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
1VQP0.74
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
1VQN0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.72
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.7
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.73
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
S1ASORAPHEN AA,B3GID0.72
S1ASORAPHEN AA,B,C1W960.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.7
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,G1MZN0.7
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
RSOR-STYRENE OXIDEA,B1PWZ0.86
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.7
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.87
PHQFORMIC ACID BENZYL ESTERA1KJO0.87
PHQFORMIC ACID BENZYL ESTERI2CDR0.87
PHQFORMIC ACID BENZYL ESTERI2C1E0.87
PHQFORMIC ACID BENZYL ESTERI5PAD0.87
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.87
PHQFORMIC ACID BENZYL ESTERA2CNO0.87
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.87
PHQFORMIC ACID BENZYL ESTERI2AZ90.87
PHQFORMIC ACID BENZYL ESTERI2C2K0.87
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.87
PHQFORMIC ACID BENZYL ESTERA1KJP0.87
PHQFORMIC ACID BENZYL ESTERI2C2M0.87
PHQFORMIC ACID BENZYL ESTERI2AZB0.87
PHQFORMIC ACID BENZYL ESTERA9HVP0.87
PHQFORMIC ACID BENZYL ESTERA1ESB0.87
PHQFORMIC ACID BENZYL ESTERE,F1DY80.87
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.87
PHQFORMIC ACID BENZYL ESTERI1GEC0.87
PHQFORMIC ACID BENZYL ESTERA1KS70.87
PHQFORMIC ACID BENZYL ESTERC1A8G0.87
PHQFORMIC ACID BENZYL ESTERA1KKK0.87
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.87
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.87
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.87
PHQFORMIC ACID BENZYL ESTERA1KTO0.87
PHQFORMIC ACID BENZYL ESTERA,C1TG10.87
PHQFORMIC ACID BENZYL ESTERI2AZ80.87
PHQFORMIC ACID BENZYL ESTERA,B2G580.87
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.87
PHQFORMIC ACID BENZYL ESTERI2CJY0.87
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.87
PHQFORMIC ACID BENZYL ESTERA1KR60.87
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.87
PHQFORMIC ACID BENZYL ESTERA1KRO0.87
PHQFORMIC ACID BENZYL ESTERI2CNN0.87
PHQFORMIC ACID BENZYL ESTERI2C2O0.87
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.87
PHQFORMIC ACID BENZYL ESTERA,B1THE0.87
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.87
PHQFORMIC ACID BENZYL ESTERE,I5EST0.87
PHQFORMIC ACID BENZYL ESTERI2CNK0.87
PHQFORMIC ACID BENZYL ESTERA1KL60.87
PHQFORMIC ACID BENZYL ESTERI6PAD0.87
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.87
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.76
PAC2-PHENYLACETIC ACIDB1PNL0.73
PAC2-PHENYLACETIC ACIDB1K5Q0.73
PAC2-PHENYLACETIC ACIDB1FXH0.73
PAC2-PHENYLACETIC ACIDA2ISF0.73
PAC2-PHENYLACETIC ACIDA2INE0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
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,D1RDT0.73
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.8
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
RMN(R)-MANDELIC ACIDA1MDL0.77
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.77
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
959benzyl (2-oxopropyl)carbamateA3D620.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
SS11-PHENYLETHANOLH1UM50.8
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.7
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.75
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.79
DFADIPHENYLACETIC ACIDA,B,C1GMY0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.75
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.73
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1BLH0.71
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1AXB0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.73