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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01904325

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.86
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.74
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.77
B08A,B2E990.7
PAC2-PHENYLACETIC ACIDB1PNL0.76
PAC2-PHENYLACETIC ACIDB1K5Q0.76
PAC2-PHENYLACETIC ACIDB1FXH0.76
PAC2-PHENYLACETIC ACIDA2ISF0.76
PAC2-PHENYLACETIC ACIDA2INE0.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.79
HCIHYDROCINNAMIC ACIDA,B1BXG0.78
HCIHYDROCINNAMIC ACIDA,B1TOG0.78
HCIHYDROCINNAMIC ACIDA,B1V2F0.78
HCIHYDROCINNAMIC ACIDA,B1AHX0.78
HCIHYDROCINNAMIC ACIDA1TOI0.78
HCIHYDROCINNAMIC ACIDA,B1AY80.78
HCIHYDROCINNAMIC ACIDA1TOJ0.78
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.77
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.77
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.77
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.72
BDBA,B1KE30.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.74
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.74
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.74
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.74
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.74
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
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.76
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.76
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.72
7912-PHENYLMALONIC ACIDA1O4P0.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.74
BZSL-BENZYLSUCCINIC ACIDA1HYT0.74
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.79
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.83
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
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
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.8
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.7