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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02886263

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.73
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.76
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.71
EDREDROPHONIUM IONA1AX90.74
EDREDROPHONIUM IONA2ACK0.74
4NL4-AMINOPHENOLA2ORL0.72
TY23-AMINO-L-TYROSINEA,B2VH30.75
3XH3-Hydroxyhippuric acidA3E9K0.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.71
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.79
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.76
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.75
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.73
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.73
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
AZY3-AZIDO-L-TYROSINEA2YXN0.74
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.71
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.72
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.76
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.73
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.71
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.71
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.78
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.72
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.82
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.72
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.74
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.75
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.72
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.84