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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03518145

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3PL3-PHENYLPROPANALE1Y3G0.71
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.74
DENINDENEA183L0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.83
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.87
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.73
B08A,B2E990.7
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.72
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.95
PA0Phenylarsine oxideA3E3Z0.71
PYLPHENYLETHANEC1B070.81
PYLPHENYLETHANEA,B2VRM0.81
PYLPHENYLETHANEA1NHB0.81
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.79
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.76
NPYNAPHTHALENEA,B1O7G0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.7
PBCPHENYL BORONIC ACIDA2A320.74
PBCPHENYL BORONIC ACIDA1JU30.74
TOSP-SULFINOTOLUENEH1ETT0.71
TOSP-SULFINOTOLUENEI4PAD0.71
TOSP-SULFINOTOLUENEA1EST0.71
TOSP-SULFINOTOLUENEC,G2CHA0.71
TOSP-SULFINOTOLUENEE1PPH0.71
N4BN-BUTYLBENZENEA186L0.81
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.72
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.77
I4BISOBUTYLBENZENEA184L0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.81
MBNTOLUENEA,B3D7O0.81
MBNTOLUENEA,B1R1X0.81
MBNTOLUENEA,B1JLX0.81
MBNTOLUENEA,B,C,D3D170.81
MBNTOLUENEA,B2VRL0.81
MBNTOLUENEA,I2Z3E0.81
MBNTOLUENEA,B1YZI0.81
MBNTOLUENEA,B2DN10.81
MBNTOLUENEA,B3EN10.81
PXYPARA-XYLENEA187L0.81
PXYPARA-XYLENEA225L0.81
B69A2ZCR0.73
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.81
TSUPARA-TOLUENE SULFONATEA,B1WUW0.7
TSUPARA-TOLUENE SULFONATEA1B0D0.7
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
BDBA,B1KE30.8
FPRPROPYLBENZENEC1RHK0.81
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
2HT3-methylbenzonitrileA,B3F880.71
OXEORTHO-XYLENEA,B3E0X0.79
OXEORTHO-XYLENEA188L0.79
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73
PMSBENZYLSULFINIC ACIDB1PNM0.75
PMSBENZYLSULFINIC ACIDA,B1SH70.75
PMSBENZYLSULFINIC ACIDB,C1BB00.75
PMSBENZYLSULFINIC ACIDA,B1S2N0.75
PMSBENZYLSULFINIC ACIDA,B1WB80.75
PMSBENZYLSULFINIC ACIDA,B,C3CE40.75
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.75
PMSBENZYLSULFINIC ACIDA3H180.75
PMSBENZYLSULFINIC ACIDA3H170.75
PMSBENZYLSULFINIC ACIDA2CBG0.75
PMSBENZYLSULFINIC ACIDA1SUP0.75
PMSBENZYLSULFINIC ACIDA,B1V6C0.75
PMSBENZYLSULFINIC ACIDA,B1WPR0.75
PMSBENZYLSULFINIC ACIDA,B1EQ90.75
PMSBENZYLSULFINIC ACIDA,B1AUR0.75
PMSBENZYLSULFINIC ACIDA1KLT0.75
PMSBENZYLSULFINIC ACIDB,C1CA80.75
PMSBENZYLSULFINIC ACIDA2GKO0.75
PMSBENZYLSULFINIC ACIDB,C,D1BA80.75
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.74
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.87