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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01871169

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.76
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.71
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.72
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.72
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.74
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.71
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.75
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.74
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
AAHH1KEL0.71
AAHB,H1FL60.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.7
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.73
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.73
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.8
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.8
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.8
CLMCHLORAMPHENICOLA1K010.8
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.8
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.8
CLMCHLORAMPHENICOLA2XAT0.8
CLMCHLORAMPHENICOLA4CLA0.8
CLMCHLORAMPHENICOLA1CLA0.8
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.8
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.8
CLMCHLORAMPHENICOLA,B2UXP0.8
CLMCHLORAMPHENICOLA1QHS0.8
CLMCHLORAMPHENICOLA1QHY0.8
CLMCHLORAMPHENICOLA3CLA0.8
TAA[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-
BENZYL]-PHOSPHONIC ACID MONO-[2-
(2,2-DICHLORO-1-HYDROXY-ETHYLAMINO)-
3-HYDROXY-1-(4-NITRO-PHENYL)-PROPYL] ESTER
A,B,C,D1CT80.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.72
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.83
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.7
TNSA,B,L2G2R0.72
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.82
M09(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRM0.7
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.86
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.79
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.79
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.79
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.72