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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865446

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R1
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.77
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.75
PXYPARA-XYLENEA187L0.77
PXYPARA-XYLENEA225L0.77
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.77
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.73
PBCPHENYL BORONIC ACIDA2A320.73
PBCPHENYL BORONIC ACIDA1JU30.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.83
B28A,B2E9A0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.79
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
I4BISOBUTYLBENZENEA184L0.75
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.83
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.83
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.83
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.83
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.83
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.83
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.71
B69A2ZCR0.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
B08A,B2E990.71
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.74
PMSBENZYLSULFINIC ACIDB1PNM0.74
PMSBENZYLSULFINIC ACIDA,B1SH70.74
PMSBENZYLSULFINIC ACIDB,C1BB00.74
PMSBENZYLSULFINIC ACIDA,B1S2N0.74
PMSBENZYLSULFINIC ACIDA,B1WB80.74
PMSBENZYLSULFINIC ACIDA,B,C3CE40.74
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.74
PMSBENZYLSULFINIC ACIDA3H180.74
PMSBENZYLSULFINIC ACIDA3H170.74
PMSBENZYLSULFINIC ACIDA2CBG0.74
PMSBENZYLSULFINIC ACIDA1SUP0.74
PMSBENZYLSULFINIC ACIDA,B1V6C0.74
PMSBENZYLSULFINIC ACIDA,B1WPR0.74
PMSBENZYLSULFINIC ACIDA,B1EQ90.74
PMSBENZYLSULFINIC ACIDA,B1AUR0.74
PMSBENZYLSULFINIC ACIDA1KLT0.74
PMSBENZYLSULFINIC ACIDB,C1CA80.74
PMSBENZYLSULFINIC ACIDA2GKO0.74
PMSBENZYLSULFINIC ACIDB,C,D1BA80.74
BDBA,B1KE30.79
N4BN-BUTYLBENZENEA186L0.77
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.74
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.74
MBNTOLUENEA,B3D7O0.8
MBNTOLUENEA,B1R1X0.8
MBNTOLUENEA,B1JLX0.8
MBNTOLUENEA,B,C,D3D170.8
MBNTOLUENEA,B2VRL0.8
MBNTOLUENEA,I2Z3E0.8
MBNTOLUENEA,B1YZI0.8
MBNTOLUENEA,B2DN10.8
MBNTOLUENEA,B3EN10.8
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
TOSP-SULFINOTOLUENEH1ETT0.7
TOSP-SULFINOTOLUENEI4PAD0.7
TOSP-SULFINOTOLUENEA1EST0.7
TOSP-SULFINOTOLUENEC,G2CHA0.7
TOSP-SULFINOTOLUENEE1PPH0.7