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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00291225

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
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.85
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN80.71
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.71
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.73
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.85
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.7
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9T0.78
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE
A,B2OYM0.74
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.76
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.76
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.76
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.76
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.76
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A4LBD0.7
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXX0.7
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.79
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.79
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.84
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.86
CLMCHLORAMPHENICOLA1K010.7
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.7
CLMCHLORAMPHENICOLA2XAT0.7
CLMCHLORAMPHENICOLA4CLA0.7
CLMCHLORAMPHENICOLA1CLA0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.7
CLMCHLORAMPHENICOLA,B2UXP0.7
CLMCHLORAMPHENICOLA1QHS0.7
CLMCHLORAMPHENICOLA1QHY0.7
CLMCHLORAMPHENICOLA3CLA0.7
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.74
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.79
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.73
FCK3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-
tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid
B3FCK0.71
PAB4-AMINOBENZOIC ACIDA1PBD0.75
PAB4-AMINOBENZOIC ACIDB2DZA0.75
PAB4-AMINOBENZOIC ACIDA1IUS0.75
PAB4-AMINOBENZOIC ACIDA1IUU0.75
PAB4-AMINOBENZOIC ACIDA1IUT0.75
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.88
GBS4-GUANIDINOBENZOIC ACIDX2AH40.78
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.78
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.78
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.78
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.85
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.74
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.8
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.8
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.8
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.86
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.77
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.81
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.81
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.7
BE22-AMINOBENZOIC ACIDE,I1ZFP0.7
BE22-AMINOBENZOIC ACIDA,B2HU80.7
BE22-AMINOBENZOIC ACIDA,B1AN90.7
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.7
BE22-AMINOBENZOIC ACIDA,B2YR60.7
BE22-AMINOBENZOIC ACIDA,I1E8N0.7
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.7
BE22-AMINOBENZOIC ACIDA1C0I0.7
BE22-AMINOBENZOIC ACIDA,B2JB30.7
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
TNSA,B,L2G2R0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.78
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.74
GAB3-AMINOBENZOIC ACIDA,B3GSB0.74
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.74
GAB3-AMINOBENZOIC ACIDA3FHB0.74
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.7
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXA0.7
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73