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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02315604

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.72
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.74
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.74
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.74
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
SS11-PHENYLETHANOLH1UM50.74
B69A2ZCR0.71
IBPIBUPROFENA3FKX0.7
IBPIBUPROFENA,B2BXG0.7
IBPIBUPROFENA,B1EQG0.7
IBPIBUPROFENA,B,C2WD90.7
IBPIBUPROFENA2PWS0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.74
BPSA,B2DE40.71
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
OBPA,B2DE30.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.76
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.84
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.71
PMSBENZYLSULFINIC ACIDB1PNM0.78
PMSBENZYLSULFINIC ACIDA,B1SH70.78
PMSBENZYLSULFINIC ACIDB,C1BB00.78
PMSBENZYLSULFINIC ACIDA,B1S2N0.78
PMSBENZYLSULFINIC ACIDA,B1WB80.78
PMSBENZYLSULFINIC ACIDA,B,C3CE40.78
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.78
PMSBENZYLSULFINIC ACIDA3H180.78
PMSBENZYLSULFINIC ACIDA3H170.78
PMSBENZYLSULFINIC ACIDA2CBG0.78
PMSBENZYLSULFINIC ACIDA1SUP0.78
PMSBENZYLSULFINIC ACIDA,B1V6C0.78
PMSBENZYLSULFINIC ACIDA,B1WPR0.78
PMSBENZYLSULFINIC ACIDA,B1EQ90.78
PMSBENZYLSULFINIC ACIDA,B1AUR0.78
PMSBENZYLSULFINIC ACIDA1KLT0.78
PMSBENZYLSULFINIC ACIDB,C1CA80.78
PMSBENZYLSULFINIC ACIDA2GKO0.78
PMSBENZYLSULFINIC ACIDB,C,D1BA80.78
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.74
TSUPARA-TOLUENE SULFONATEA1B0D0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.74
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.74
SS2(1R)-1-PHENYLETHANOLA1ZJY0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
TOSP-SULFINOTOLUENEH1ETT0.72
TOSP-SULFINOTOLUENEI4PAD0.72
TOSP-SULFINOTOLUENEA1EST0.72
TOSP-SULFINOTOLUENEC,G2CHA0.72
TOSP-SULFINOTOLUENEE1PPH0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74