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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03215535

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.75
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.75
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.75
HY1PHENYLACETALDEHYDED,H2I0S0.74
HY1PHENYLACETALDEHYDEA,B1D6Y0.74
HY1PHENYLACETALDEHYDEA,B1D6Z0.74
HY1PHENYLACETALDEHYDED,H2OK40.74
HY1PHENYLACETALDEHYDEA,B1D6U0.74
PMSBENZYLSULFINIC ACIDB1PNM0.81
PMSBENZYLSULFINIC ACIDA,B1SH70.81
PMSBENZYLSULFINIC ACIDB,C1BB00.81
PMSBENZYLSULFINIC ACIDA,B1S2N0.81
PMSBENZYLSULFINIC ACIDA,B1WB80.81
PMSBENZYLSULFINIC ACIDA,B,C3CE40.81
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.81
PMSBENZYLSULFINIC ACIDA3H180.81
PMSBENZYLSULFINIC ACIDA3H170.81
PMSBENZYLSULFINIC ACIDA2CBG0.81
PMSBENZYLSULFINIC ACIDA1SUP0.81
PMSBENZYLSULFINIC ACIDA,B1V6C0.81
PMSBENZYLSULFINIC ACIDA,B1WPR0.81
PMSBENZYLSULFINIC ACIDA,B1EQ90.81
PMSBENZYLSULFINIC ACIDA,B1AUR0.81
PMSBENZYLSULFINIC ACIDA1KLT0.81
PMSBENZYLSULFINIC ACIDB,C1CA80.81
PMSBENZYLSULFINIC ACIDA2GKO0.81
PMSBENZYLSULFINIC ACIDB,C,D1BA80.81
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.72
TSUPARA-TOLUENE SULFONATEA,B1WUW0.76
TSUPARA-TOLUENE SULFONATEA1B0D0.76
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.83
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
B69A2ZCR0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.74
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.74
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.74
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.74
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.74
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
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
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.73
1LPTRANYLCYPROMINEA,B1OJB0.72
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
TOSP-SULFINOTOLUENEH1ETT0.75
TOSP-SULFINOTOLUENEI4PAD0.75
TOSP-SULFINOTOLUENEA1EST0.75
TOSP-SULFINOTOLUENEC,G2CHA0.75
TOSP-SULFINOTOLUENEE1PPH0.75
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.71
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.72
BPSA,B2DE40.72
BZQDIPHENYLMETHANONEA,B1GT50.72
BZQDIPHENYLMETHANONEA,B1DZP0.72
3PL3-PHENYLPROPANALE1Y3G0.75
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.74
VK3MENADIONEA1TUV0.72
VK3MENADIONEA,B2QR20.72