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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011643

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
P3G3,6,9,12,15-PENTAOXAHEPTADECANEA1QZ90.71
P3G3,6,9,12,15-PENTAOXAHEPTADECANEA,B2GYV0.71
EEEETHYL ACETATEA2QFL0.71
EEEETHYL ACETATEA,B,C1QFI0.71
EEEETHYL ACETATEA,B,C1YAH0.71
EEEETHYL ACETATEA,B,C1A7Y0.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B3EEA0.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A3G7P0.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B3GP50.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B,C,D3EO40.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A3H920.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B,C3CNX0.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A2VLA0.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B3F290.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B3D1I0.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B,C,D1D1J0.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE		A,B2ZO50.71
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A,B,C,D1D1J0.71
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A1IWN0.71
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A3EEH0.71
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A,B,C,D,E,F,
G,H,I,J,K,L		3GVD0.71
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE		A,B,C,D,E,F,
G,H,I,J,K,L		3D010.71
DXE1,2-DIMETHOXYETHANEA,B2C2N0.78
DXE1,2-DIMETHOXYETHANEA1PJX0.78
2MEMETHOXYETHANEA,B,C2HV80.87
DIO1,4-DIETHYLENE DIOXIDE1,21G290.7
DIO1,4-DIETHYLENE DIOXIDEA1UB00.7
DIO1,4-DIETHYLENE DIOXIDEA,B3CWW0.7
DIO1,4-DIETHYLENE DIOXIDEA,B1O0R0.7
DIO1,4-DIETHYLENE DIOXIDEA1VIS0.7
DIO1,4-DIETHYLENE DIOXIDEX2DOH0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D,E,F,
M,N,O,P,Q,R		2J590.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D,E,F,G1TG60.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D1Y660.7
DIO1,4-DIETHYLENE DIOXIDEA,B2C030.7
DIO1,4-DIETHYLENE DIOXIDEA2G4B0.7
DIO1,4-DIETHYLENE DIOXIDEA,B2OFP0.7
DIO1,4-DIETHYLENE DIOXIDEA,B2G480.7
DIO1,4-DIETHYLENE DIOXIDEA,B2JBU0.7
DIO1,4-DIETHYLENE DIOXIDEA,B2OUA0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D2PI20.7
DIO1,4-DIETHYLENE DIOXIDEA1TGJ0.7
DIO1,4-DIETHYLENE DIOXIDEA1V190.7
DIO1,4-DIETHYLENE DIOXIDEA1WMD0.7
DIO1,4-DIETHYLENE DIOXIDEA,B2JG40.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AEC0.7
DIO1,4-DIETHYLENE DIOXIDEA1ZT30.7
DIO1,4-DIETHYLENE DIOXIDEA,B2J3S0.7
DIO1,4-DIETHYLENE DIOXIDEA1BFU0.7
DIO1,4-DIETHYLENE DIOXIDEA1WMF0.7
DIO1,4-DIETHYLENE DIOXIDEA,B2G490.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D,E,F1LVO0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D1WYK0.7
DIO1,4-DIETHYLENE DIOXIDEA,B1P9S0.7
DIO1,4-DIETHYLENE DIOXIDEA2G560.7
DIO1,4-DIETHYLENE DIOXIDEA2JC50.7
DIO1,4-DIETHYLENE DIOXIDEA2VQJ0.7
DIO1,4-DIETHYLENE DIOXIDEA,B1DC10.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AES0.7
DIO1,4-DIETHYLENE DIOXIDEA2YWS0.7
DIO1,4-DIETHYLENE DIOXIDEA,B2G470.7
DIO1,4-DIETHYLENE DIOXIDEA1YPQ0.7
DIO1,4-DIETHYLENE DIOXIDEA,B1FV00.7
DIO1,4-DIETHYLENE DIOXIDEA2C0N0.7
DIO1,4-DIETHYLENE DIOXIDEA2HJS0.7
DIO1,4-DIETHYLENE DIOXIDEA,B1TW50.7
DIO1,4-DIETHYLENE DIOXIDEA,C,D2G9H0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D,E,F1KXG0.7
DIO1,4-DIETHYLENE DIOXIDEA,B2G540.7
DIO1,4-DIETHYLENE DIOXIDEA1H0A0.7
DIO1,4-DIETHYLENE DIOXIDEA1T560.7
DIO1,4-DIETHYLENE DIOXIDEA,B3E4A0.7
DIO1,4-DIETHYLENE DIOXIDEA2FWV0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,E2DCY0.7
DIO1,4-DIETHYLENE DIOXIDEA,B1ZRF0.7
DIO1,4-DIETHYLENE DIOXIDEA2YWT0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C2BIS0.7
DIO1,4-DIETHYLENE DIOXIDEA2DCZ0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C2HVW0.7
DIO1,4-DIETHYLENE DIOXIDEA1UIY0.7
DIO1,4-DIETHYLENE DIOXIDEA1V930.7
DIO1,4-DIETHYLENE DIOXIDEA,B2WC00.7
DIO1,4-DIETHYLENE DIOXIDEA,B1TW10.7
DIO1,4-DIETHYLENE DIOXIDEA,B2GNV0.7
DIO1,4-DIETHYLENE DIOXIDEA,B3EUY0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C3EE50.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AGD0.7
DIO1,4-DIETHYLENE DIOXIDEA1ZT50.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C,D2AHJ0.7
DIO1,4-DIETHYLENE DIOXIDEA1KMQ0.7
DIO1,4-DIETHYLENE DIOXIDEA2JEN0.7
DIO1,4-DIETHYLENE DIOXIDEA,B1PUU0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AH90.7
DIO1,4-DIETHYLENE DIOXIDEA2YWU0.7
DIO1,4-DIETHYLENE DIOXIDEA,B,C2AE70.7
DIO1,4-DIETHYLENE DIOXIDEA1AF40.7
DIO1,4-DIETHYLENE DIOXIDEA1KKH0.7
DIO1,4-DIETHYLENE DIOXIDEA1OJR0.7
DIO1,4-DIETHYLENE DIOXIDEA2JGP0.7
DIO1,4-DIETHYLENE DIOXIDEA2NG10.7
DFE2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUOROETHANEA2GYD0.7
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B2JGL0.75
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B2JGH0.75
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B2WHR0.75
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B2GYU0.75
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B3CI60.75
P4G1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANEA,B3BMX0.75
16P3,6,9,12,15,18-HEXAOXAICOSANEA,B2Q5A0.71
TOE2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXYL		A,B1LCS0.79
ME21-ETHOXY-2-(2-METHOXYETHOXY)ETHANEA1PJX0.79
M2M1-METHOXY-2-(2-METHOXYETHOXY)ETHANEA1QYE0.83
M2M1-METHOXY-2-(2-METHOXYETHOXY)ETHANEA1QY50.83