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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02976043

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.83
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.77
B2FPHENYLALANINE BORONIC ACIDA,P1P060.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.77
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.77
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.82
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
DPKDEPRENYLA,B2BYB0.71
BCSBENZYLCYSTEINEA,B,G,H10GS0.71
BCSBENZYLCYSTEINEA1EH80.71
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.73
SEBO-BENZYLSULFONYL-SERINEA1IAV0.73
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.73
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.73
SEBO-BENZYLSULFONYL-SERINEA1C9N0.73
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.73
SEBO-BENZYLSULFONYL-SERINEA1GGV0.73
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.73
SEBO-BENZYLSULFONYL-SERINEA1PQA0.73
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.73
SEBO-BENZYLSULFONYL-SERINEA1C9M0.73
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.78
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.82
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.71
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.71
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.73
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
PRA3-PHENYLPROPYLAMINEA1TNK0.77
PRA3-PHENYLPROPYLAMINEM1UTL0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.77
PBN4-PHENYLBUTYLAMINEA1UTP0.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.83
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.83
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.73
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.8
PMSBENZYLSULFINIC ACIDB1PNM0.73
PMSBENZYLSULFINIC ACIDA,B1SH70.73
PMSBENZYLSULFINIC ACIDB,C1BB00.73
PMSBENZYLSULFINIC ACIDA,B1S2N0.73
PMSBENZYLSULFINIC ACIDA,B1WB80.73
PMSBENZYLSULFINIC ACIDA,B,C3CE40.73
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.73
PMSBENZYLSULFINIC ACIDA3H180.73
PMSBENZYLSULFINIC ACIDA3H170.73
PMSBENZYLSULFINIC ACIDA2CBG0.73
PMSBENZYLSULFINIC ACIDA1SUP0.73
PMSBENZYLSULFINIC ACIDA,B1V6C0.73
PMSBENZYLSULFINIC ACIDA,B1WPR0.73
PMSBENZYLSULFINIC ACIDA,B1EQ90.73
PMSBENZYLSULFINIC ACIDA,B1AUR0.73
PMSBENZYLSULFINIC ACIDA1KLT0.73
PMSBENZYLSULFINIC ACIDB,C1CA80.73
PMSBENZYLSULFINIC ACIDA2GKO0.73
PMSBENZYLSULFINIC ACIDB,C,D1BA80.73
271N-methyl-1-phenylmethanamineX2RBT0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.78
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.78
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.78
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.78
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.78
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.78
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.78
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.78
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.78