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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03293813

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DIO1,4-DIETHYLENE DIOXIDE1,21G290.74
DIO1,4-DIETHYLENE DIOXIDEA1UB00.74
DIO1,4-DIETHYLENE DIOXIDEA,B3CWW0.74
DIO1,4-DIETHYLENE DIOXIDEA,B1O0R0.74
DIO1,4-DIETHYLENE DIOXIDEA1VIS0.74
DIO1,4-DIETHYLENE DIOXIDEX2DOH0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D,E,F,
M,N,O,P,Q,R		2J590.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D,E,F,G1TG60.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D1Y660.74
DIO1,4-DIETHYLENE DIOXIDEA,B2C030.74
DIO1,4-DIETHYLENE DIOXIDEA2G4B0.74
DIO1,4-DIETHYLENE DIOXIDEA,B2OFP0.74
DIO1,4-DIETHYLENE DIOXIDEA,B2G480.74
DIO1,4-DIETHYLENE DIOXIDEA,B2JBU0.74
DIO1,4-DIETHYLENE DIOXIDEA,B2OUA0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D2PI20.74
DIO1,4-DIETHYLENE DIOXIDEA1TGJ0.74
DIO1,4-DIETHYLENE DIOXIDEA1V190.74
DIO1,4-DIETHYLENE DIOXIDEA1WMD0.74
DIO1,4-DIETHYLENE DIOXIDEA,B2JG40.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AEC0.74
DIO1,4-DIETHYLENE DIOXIDEA1ZT30.74
DIO1,4-DIETHYLENE DIOXIDEA,B2J3S0.74
DIO1,4-DIETHYLENE DIOXIDEA1BFU0.74
DIO1,4-DIETHYLENE DIOXIDEA1WMF0.74
DIO1,4-DIETHYLENE DIOXIDEA,B2G490.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D,E,F1LVO0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D1WYK0.74
DIO1,4-DIETHYLENE DIOXIDEA,B1P9S0.74
DIO1,4-DIETHYLENE DIOXIDEA2G560.74
DIO1,4-DIETHYLENE DIOXIDEA2JC50.74
DIO1,4-DIETHYLENE DIOXIDEA2VQJ0.74
DIO1,4-DIETHYLENE DIOXIDEA,B1DC10.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AES0.74
DIO1,4-DIETHYLENE DIOXIDEA2YWS0.74
DIO1,4-DIETHYLENE DIOXIDEA,B2G470.74
DIO1,4-DIETHYLENE DIOXIDEA1YPQ0.74
DIO1,4-DIETHYLENE DIOXIDEA,B1FV00.74
DIO1,4-DIETHYLENE DIOXIDEA2C0N0.74
DIO1,4-DIETHYLENE DIOXIDEA2HJS0.74
DIO1,4-DIETHYLENE DIOXIDEA,B1TW50.74
DIO1,4-DIETHYLENE DIOXIDEA,C,D2G9H0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D,E,F1KXG0.74
DIO1,4-DIETHYLENE DIOXIDEA,B2G540.74
DIO1,4-DIETHYLENE DIOXIDEA1H0A0.74
DIO1,4-DIETHYLENE DIOXIDEA1T560.74
DIO1,4-DIETHYLENE DIOXIDEA,B3E4A0.74
DIO1,4-DIETHYLENE DIOXIDEA2FWV0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,E2DCY0.74
DIO1,4-DIETHYLENE DIOXIDEA,B1ZRF0.74
DIO1,4-DIETHYLENE DIOXIDEA2YWT0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C2BIS0.74
DIO1,4-DIETHYLENE DIOXIDEA2DCZ0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C2HVW0.74
DIO1,4-DIETHYLENE DIOXIDEA1UIY0.74
DIO1,4-DIETHYLENE DIOXIDEA1V930.74
DIO1,4-DIETHYLENE DIOXIDEA,B2WC00.74
DIO1,4-DIETHYLENE DIOXIDEA,B1TW10.74
DIO1,4-DIETHYLENE DIOXIDEA,B2GNV0.74
DIO1,4-DIETHYLENE DIOXIDEA,B3EUY0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C3EE50.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AGD0.74
DIO1,4-DIETHYLENE DIOXIDEA1ZT50.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D2AHJ0.74
DIO1,4-DIETHYLENE DIOXIDEA1KMQ0.74
DIO1,4-DIETHYLENE DIOXIDEA2JEN0.74
DIO1,4-DIETHYLENE DIOXIDEA,B1PUU0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AH90.74
DIO1,4-DIETHYLENE DIOXIDEA2YWU0.74
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AE70.74
DIO1,4-DIETHYLENE DIOXIDEA1AF40.74
DIO1,4-DIETHYLENE DIOXIDEA1KKH0.74
DIO1,4-DIETHYLENE DIOXIDEA1OJR0.74
DIO1,4-DIETHYLENE DIOXIDEA2JGP0.74
DIO1,4-DIETHYLENE DIOXIDEA2NG10.74
P152,5,8,11,14,17-HEXAOXANONADECAN-
19-OL		A,B2H7J0.7
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A,B,C,D1D1J0.83
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A1IWN0.83
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A3EEH0.83
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A,B,C,D,E,F,
G,H,I,J,K,L		3GVD0.83
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A,B,C,D,E,F,
G,H,I,J,K,L		3D010.83
M2M1-METHOXY-2-(2-METHOXYETHOXY)ETHANEA1QYE0.86
M2M1-METHOXY-2-(2-METHOXYETHOXY)ETHANEA1QY50.86
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B3EEA0.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A3G7P0.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B3GP50.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B,C,D3EO40.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A3H920.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B,C3CNX0.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A2VLA0.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B3F290.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B3D1I0.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B,C,D1D1J0.83
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B2ZO50.83
PG02-(2-METHOXYETHOXY)ETHANOLA,B3CN90.72
PG02-(2-METHOXYETHOXY)ETHANOLA2GLA0.72
PG02-(2-METHOXYETHOXY)ETHANOLA2VJI0.72
PG02-(2-METHOXYETHOXY)ETHANOLA2CU90.72
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL		A,B2O950.7
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL		A,B2VRO0.7
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL		A1MXG0.7
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL		A,B2D1G0.7
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL		A,B,C,D,E,F,
G,H		2G500.7
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL		A3CX40.7
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL		A,B3B880.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2DBP0.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2ZMC0.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2OVJ0.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA3CEK0.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA3GFW0.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B,C,D2OO10.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B2Q8Z0.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B,D,E2PYE0.7
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2ZMD0.7
P3G3,6,9,12,15-PENTAOXAHEPTADECANEA1QZ90.83
P3G3,6,9,12,15-PENTAOXAHEPTADECANEA,B2GYV0.83
AE43,6,9,12,15-PENTAOXAHEPTADECAN-
1-OL		A,B2C2N0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A1UP00.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B2ZNW0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B1I4F0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A1PIN0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B2ARV0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B2ZNX0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B1D7B0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B1D7D0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A1E0B0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B1D7C0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A1NE80.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A2VMC0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B,C2HTE0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B1N5S0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B,C,D1Z690.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,F2ARP0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A2VMD0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B,C2I7C0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B,C2PT60.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B,C2PT90.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		B2ECU0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A1UP30.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B,C2PSS0.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A1UP20.7
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL		A,B1PL30.7
ME21-ETHOXY-2-(2-METHOXYETHOXY)ETHANEA1PJX0.9
16P3,6,9,12,15,18-HEXAOXAICOSANEA,B2Q5A0.83
TOE2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXYL		A,B1LCS0.82
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B2JGL0.86
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B2JGH0.86
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B2WHR0.86
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B2GYU0.86
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B3CI60.86
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B3BMX0.86
DXE1,2-DIMETHOXYETHANEA,B2C2N0.81
DXE1,2-DIMETHOXYETHANEA1PJX0.81
MOEMETHOXY-ETHOXYLA,B1KGK0.71
ETX2-ETHOXYETHANOLA,B2D1G0.72
ETX2-ETHOXYETHANOLA3BBY0.72
ETX2-ETHOXYETHANOLA,B1R370.72
ETX2-ETHOXYETHANOLA,B,C,D2VZY0.72
ETX2-ETHOXYETHANOLA,H,L,U2FD60.72
ETX2-ETHOXYETHANOLA2GNO0.72
ETX2-ETHOXYETHANOLA,B,H3GBN0.72
ETX2-ETHOXYETHANOLA,B3DT70.72
ETX2-ETHOXYETHANOLA,B2R7H0.72
ETX2-ETHOXYETHANOLA2HX50.72
ETX2-ETHOXYETHANOLA,B,C,D3E490.72
ETX2-ETHOXYETHANOLA,C3BYB0.72
AE32-(2-ETHOXYETHOXY)ETHANOLA,B2C2N0.72
AE32-(2-ETHOXYETHOXY)ETHANOLA,B2JGH0.72
AE32-(2-ETHOXYETHOXY)ETHANOLA,B2JGJ0.72
AE32-(2-ETHOXYETHOXY)ETHANOLA,B,C2JHE0.72
AE32-(2-ETHOXYETHOXY)ETHANOLA,B1J060.72
AE32-(2-ETHOXYETHOXY)ETHANOLA,B2JGI0.72