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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02824685

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1BO1-BUTANOLX1YKY0.75
1BO1-BUTANOLA,B2HUU0.75
1BO1-BUTANOLA2VDG0.75
1BO1-BUTANOLA,B1OOH0.75
1BO1-BUTANOLC,D1OKX0.75
1BO1-BUTANOLA,B3ET20.75
1BO1-BUTANOLA,B3B6X0.75
1BO1-BUTANOLA1G4H0.75
1BO1-BUTANOLA,B2HUF0.75
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1UP00.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B2ZNW0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1I4F0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1PIN0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B2ARV0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B2ZNX0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1D7B0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1D7D0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1E0B0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1D7C0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1NE80.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A2VMC0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2HTE0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1N5S0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C,D1Z690.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,F2ARP0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A2VMD0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2I7C0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2PT60.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2PT90.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
B2ECU0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1UP30.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2PSS0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1UP20.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1PL30.71
PG02-(2-METHOXYETHOXY)ETHANOLA,B3CN90.73
PG02-(2-METHOXYETHOXY)ETHANOLA2GLA0.73
PG02-(2-METHOXYETHOXY)ETHANOLA2VJI0.73
PG02-(2-METHOXYETHOXY)ETHANOLA2CU90.73
BU21,3-BUTANEDIOLA,B1LOL0.77
BU21,3-BUTANEDIOLA,B2RFM0.77
POLN-PROPANOLA,B1AL40.74
POLN-PROPANOLA2Q1P0.74
POLN-PROPANOLA,B,C,D,E3DWQ0.74
POLN-PROPANOLA1JSE0.74
POLN-PROPANOLA,B1OOG0.74
POLN-PROPANOLA,B3CL10.74
PDO1,3-PROPANDIOLA1ZV90.78
PDO1,3-PROPANDIOLA1NAI0.78
PDO1,3-PROPANDIOLF1MR30.78
PDO1,3-PROPANDIOLA,B,C3FNK0.78
PDO1,3-PROPANDIOLA2O2I0.78
PDO1,3-PROPANDIOLA1D070.78
PDO1,3-PROPANDIOLA1IZ80.78
PDO1,3-PROPANDIOLA,H1BTW0.78
P152,5,8,11,14,17-HEXAOXANONADECAN-
19-OL
A,B2H7J0.71
AE32-(2-ETHOXYETHOXY)ETHANOLA,B2C2N0.73
AE32-(2-ETHOXYETHOXY)ETHANOLA,B2JGH0.73
AE32-(2-ETHOXYETHOXY)ETHANOLA,B2JGJ0.73
AE32-(2-ETHOXYETHOXY)ETHANOLA,B,C2JHE0.73
AE32-(2-ETHOXYETHOXY)ETHANOLA,B1J060.73
AE32-(2-ETHOXYETHOXY)ETHANOLA,B2JGI0.73
ETX2-ETHOXYETHANOLA,B2D1G0.73
ETX2-ETHOXYETHANOLA3BBY0.73
ETX2-ETHOXYETHANOLA,B1R370.73
ETX2-ETHOXYETHANOLA,B,C,D2VZY0.73
ETX2-ETHOXYETHANOLA,H,L,U2FD60.73
ETX2-ETHOXYETHANOLA2GNO0.73
ETX2-ETHOXYETHANOLA,B,H3GBN0.73
ETX2-ETHOXYETHANOLA,B3DT70.73
ETX2-ETHOXYETHANOLA,B2R7H0.73
ETX2-ETHOXYETHANOLA2HX50.73
ETX2-ETHOXYETHANOLA,B,C,D3E490.73
ETX2-ETHOXYETHANOLA,C3BYB0.73
BU11,4-BUTANEDIOLA2BAB0.72
BU11,4-BUTANEDIOLA,B2HW80.72
BU11,4-BUTANEDIOLA2B9Y0.72
BU11,4-BUTANEDIOLA1M8R0.72
BU11,4-BUTANEDIOLA,B,C3FNK0.72
BU11,4-BUTANEDIOLA,B1TZP0.72
BU11,4-BUTANEDIOLA1M8S0.72
BU11,4-BUTANEDIOLA1VIO0.72
BU11,4-BUTANEDIOLA2W620.72
BU11,4-BUTANEDIOLA2RH10.72
BU11,4-BUTANEDIOLA,B,C3CED0.72
BU11,4-BUTANEDIOLA1BK90.72
BU11,4-BUTANEDIOLA1X9D0.72
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B2O950.71
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B2VRO0.71
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A1MXG0.71
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B2D1G0.71
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B,C,D,E,F,
G,H
2G500.71
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A3CX40.71
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B3B880.71
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.7
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.7
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.7
BU3(R,R)-2,3-BUTANEDIOLA1XH90.7
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.7
BU3(R,R)-2,3-BUTANEDIOLA2H900.7
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.7
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2DBP0.71
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2ZMC0.71
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2OVJ0.71
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA3CEK0.71
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA3GFW0.71
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B,C,D2OO10.71
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B2Q8Z0.71
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B,D,E2PYE0.71
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2ZMD0.71
SBT2-BUTANOLA,B,C,D1BXZ0.72
SBT2-BUTANOLA2PLH0.72
AE43,6,9,12,15-PENTAOXAHEPTADECAN-
1-OL
A,B2C2N0.71