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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02471777

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.7
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.74
SMN(S)-MANDELIC ACIDA1MDL0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.72
PHQFORMIC ACID BENZYL ESTERA1KJO0.72
PHQFORMIC ACID BENZYL ESTERI2CDR0.72
PHQFORMIC ACID BENZYL ESTERI2C1E0.72
PHQFORMIC ACID BENZYL ESTERI5PAD0.72
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.72
PHQFORMIC ACID BENZYL ESTERA2CNO0.72
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.72
PHQFORMIC ACID BENZYL ESTERI2AZ90.72
PHQFORMIC ACID BENZYL ESTERI2C2K0.72
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.72
PHQFORMIC ACID BENZYL ESTERA1KJP0.72
PHQFORMIC ACID BENZYL ESTERI2C2M0.72
PHQFORMIC ACID BENZYL ESTERI2AZB0.72
PHQFORMIC ACID BENZYL ESTERA9HVP0.72
PHQFORMIC ACID BENZYL ESTERA1ESB0.72
PHQFORMIC ACID BENZYL ESTERE,F1DY80.72
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.72
PHQFORMIC ACID BENZYL ESTERI1GEC0.72
PHQFORMIC ACID BENZYL ESTERA1KS70.72
PHQFORMIC ACID BENZYL ESTERC1A8G0.72
PHQFORMIC ACID BENZYL ESTERA1KKK0.72
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.72
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.72
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.72
PHQFORMIC ACID BENZYL ESTERA1KTO0.72
PHQFORMIC ACID BENZYL ESTERA,C1TG10.72
PHQFORMIC ACID BENZYL ESTERI2AZ80.72
PHQFORMIC ACID BENZYL ESTERA,B2G580.72
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.72
PHQFORMIC ACID BENZYL ESTERI2CJY0.72
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.72
PHQFORMIC ACID BENZYL ESTERA1KR60.72
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.72
PHQFORMIC ACID BENZYL ESTERA1KRO0.72
PHQFORMIC ACID BENZYL ESTERI2CNN0.72
PHQFORMIC ACID BENZYL ESTERI2C2O0.72
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.72
PHQFORMIC ACID BENZYL ESTERA,B1THE0.72
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.72
PHQFORMIC ACID BENZYL ESTERE,I5EST0.72
PHQFORMIC ACID BENZYL ESTERI2CNK0.72
PHQFORMIC ACID BENZYL ESTERA1KL60.72
PHQFORMIC ACID BENZYL ESTERI6PAD0.72
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.72
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A,B1GYY0.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.71
BEZBENZOIC ACIDA,B2F8D0.7
BEZBENZOIC ACIDA,B1A8U0.7
BEZBENZOIC ACIDA,B1REE0.7
BEZBENZOIC ACIDA1L7Q0.7
BEZBENZOIC ACIDA1I690.7
BEZBENZOIC ACIDH,L1RUL0.7
BEZBENZOIC ACIDA,B3CCF0.7
BEZBENZOIC ACIDA1W9Q0.7
BEZBENZOIC ACIDA,B,G,J2DU80.7
BEZBENZOIC ACIDH,L1RUA0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.7
BEZBENZOIC ACIDH,L1RU90.7
BEZBENZOIC ACIDA,B,C,D2V320.7
BEZBENZOIC ACIDA2QMQ0.7
BEZBENZOIC ACIDA1UKB0.7
BEZBENZOIC ACIDA,B1RED0.7
BEZBENZOIC ACIDA,B1OC30.7
BEZBENZOIC ACIDA,B1REF0.7
BEZBENZOIC ACIDA,B2O020.7
BEZBENZOIC ACIDA,B2VJ10.7
BEZBENZOIC ACIDA,B,C1WSP0.7
BEZBENZOIC ACIDA1HZ40.7
BEZBENZOIC ACIDA2Q380.7
BEZBENZOIC ACIDA,B,C,D1UUJ0.7
BEZBENZOIC ACIDA,B2QL80.7
BEZBENZOIC ACIDA2Q0I0.7
BEZBENZOIC ACIDA,B1S8F0.7
BEZBENZOIC ACIDD,E,F,G,H1DJR0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.7
BEZBENZOIC ACIDA,B,C,D1I7Q0.7
BEZBENZOIC ACIDA,B,C,D2RHM0.7
BEZBENZOIC ACIDA,B2F780.7
BEZBENZOIC ACIDA,B2VL20.7
BEZBENZOIC ACIDA1HD20.7
BEZBENZOIC ACIDA1JU40.7
BEZBENZOIC ACIDH,L2AJY0.7
BEZBENZOIC ACIDA,B,C3GV10.7
BEZBENZOIC ACIDA2Q6U0.7
BEZBENZOIC ACIDA,B1VE90.7
BEZBENZOIC ACIDA,B1S9A0.7
BEZBENZOIC ACIDH,L,M1OP30.7
BEZBENZOIC ACIDA1W9E0.7
BEZBENZOIC ACIDA,B,C,D2V2G0.7
BEZBENZOIC ACIDH,L2AK10.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.7
BEZBENZOIC ACIDA,B1GYX0.7
BEZBENZOIC ACIDA1V1T0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.7
BEZBENZOIC ACIDA,B1HKQ0.7
BEZBENZOIC ACIDH,L1RUK0.7
BEZBENZOIC ACIDA2Q1B0.7
BEZBENZOIC ACIDH,L1RUM0.7
BEZBENZOIC ACIDA,B2F7A0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.7
BEZBENZOIC ACIDA,B2V7B0.7
BEZBENZOIC ACIDH1NCW0.7
BEZBENZOIC ACIDA,B1TMX0.7
BEZBENZOIC ACIDA1URM0.7
BEZBENZOIC ACIDA1W9O0.7
BEZBENZOIC ACIDA,B,C,D1GXS0.7
BEZBENZOIC ACIDH1RUP0.7
BEZBENZOIC ACIDA,B,C,D1KQB0.7
BEZBENZOIC ACIDA2Q9R0.7
BEZBENZOIC ACIDD,H2OK60.7
BEZBENZOIC ACIDA,B2Q0J0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE		A,B1O7P0.7
SS11-PHENYLETHANOLH1UM50.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.7
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.77
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.75
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.75
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H		2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H		2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
MBOMERCURIBENZOIC ACIDA2QO80.7
MBOMERCURIBENZOIC ACIDA1LUG0.7
MBOMERCURIBENZOIC ACIDA2HOC0.7
MBOMERCURIBENZOIC ACIDA3EFI0.7
MBOMERCURIBENZOIC ACIDA3BL00.7
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.7
MBOMERCURIBENZOIC ACIDA3CAJ0.7
MBOMERCURIBENZOIC ACIDA1DR70.7
MBOMERCURIBENZOIC ACIDA2HL40.7
MBOMERCURIBENZOIC ACIDA2GD80.7
MBOMERCURIBENZOIC ACIDA2QP60.7
MBOMERCURIBENZOIC ACIDA2HD60.7
MBOMERCURIBENZOIC ACIDA3C7P0.7
MBOMERCURIBENZOIC ACIDA,B2JHN0.7
MBOMERCURIBENZOIC ACIDA1DR60.7
MBOMERCURIBENZOIC ACIDA2HNC0.7
MBOMERCURIBENZOIC ACIDA2QOA0.7
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.77
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID		A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID		A2IMD0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.71
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.74
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,D1RDT0.75
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID		A2OFF0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
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		1VQ60.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.71
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		1VQP0.71
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		1VQN0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.71
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.72
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.78
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.78
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.8