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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02355061

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.78
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.82
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.74
PEL2-PHENYL-ETHANOLA,B1I0D0.8
PEL2-PHENYL-ETHANOLD,H2I0T0.8
PEL2-PHENYL-ETHANOLA,B1HZY0.8
PEL2-PHENYL-ETHANOLA,B1I0B0.8
PEL2-PHENYL-ETHANOLA1EYW0.8
PEL2-PHENYL-ETHANOLA,B1JGM0.8
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.7
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.7
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.7
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.73
SS11-PHENYLETHANOLH1UM50.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.72
PMSBENZYLSULFINIC ACIDB1PNM0.8
PMSBENZYLSULFINIC ACIDA,B1SH70.8
PMSBENZYLSULFINIC ACIDB,C1BB00.8
PMSBENZYLSULFINIC ACIDA,B1S2N0.8
PMSBENZYLSULFINIC ACIDA,B1WB80.8
PMSBENZYLSULFINIC ACIDA,B,C3CE40.8
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.8
PMSBENZYLSULFINIC ACIDA3H180.8
PMSBENZYLSULFINIC ACIDA3H170.8
PMSBENZYLSULFINIC ACIDA2CBG0.8
PMSBENZYLSULFINIC ACIDA1SUP0.8
PMSBENZYLSULFINIC ACIDA,B1V6C0.8
PMSBENZYLSULFINIC ACIDA,B1WPR0.8
PMSBENZYLSULFINIC ACIDA,B1EQ90.8
PMSBENZYLSULFINIC ACIDA,B1AUR0.8
PMSBENZYLSULFINIC ACIDA1KLT0.8
PMSBENZYLSULFINIC ACIDB,C1CA80.8
PMSBENZYLSULFINIC ACIDA2GKO0.8
PMSBENZYLSULFINIC ACIDB,C,D1BA80.8
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
BPSA,B2DE40.71
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.73
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.78
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.7
CGTCARBA-GLUCOTROPAEOLINM1W9B0.73
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.71
SEBO-BENZYLSULFONYL-SERINEA1IAV0.71
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.71
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.71
SEBO-BENZYLSULFONYL-SERINEA1C9N0.71
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.71
SEBO-BENZYLSULFONYL-SERINEA1GGV0.71
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.71
SEBO-BENZYLSULFONYL-SERINEA1PQA0.71
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.71
SEBO-BENZYLSULFONYL-SERINEA1C9M0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.7
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.7
TOSP-SULFINOTOLUENEH1ETT0.72
TOSP-SULFINOTOLUENEI4PAD0.72
TOSP-SULFINOTOLUENEA1EST0.72
TOSP-SULFINOTOLUENEC,G2CHA0.72
TOSP-SULFINOTOLUENEE1PPH0.72
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
TSUPARA-TOLUENE SULFONATEA,B1WUW0.73
TSUPARA-TOLUENE SULFONATEA1B0D0.73