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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01683137

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.72
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.7
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.74
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,D1CT80.76
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.7
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
FG1N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-
PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-
ETHYL)-PHENYL]-OXALAMIC ACID
A1NWE0.7
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.75
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.75
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.74
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.72
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.72
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.82
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.82
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.74
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A3TLH0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A1B110.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A6FIV0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A5FIV0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A2HAH0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.8
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.8
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.8
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.79
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.7
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.72
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.93
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.83
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.83
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.83
CPD[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-
UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-
BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-
ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-
PROPYL ESTER
H2DQT0.73
CPD[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-
UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-
BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-
ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-
PROPYL ESTER
H2DQU0.73
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.75
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.76
098(3R)-N~2~-(cyclopropylmethyl)-N~1~-
hydroxy-3-(3-hydroxybenzyl)-N~4~-
[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]-L-aspartamide
A,B3HY90.71
CLMCHLORAMPHENICOLA1K010.88
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.88
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.88
CLMCHLORAMPHENICOLA2XAT0.88
CLMCHLORAMPHENICOLA4CLA0.88
CLMCHLORAMPHENICOLA1CLA0.88
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.88
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.88
CLMCHLORAMPHENICOLA,B2UXP0.88
CLMCHLORAMPHENICOLA1QHS0.88
CLMCHLORAMPHENICOLA1QHY0.88
CLMCHLORAMPHENICOLA3CLA0.88
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1KYI0.71
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE
A,B,C,G,H,I,
L,M,N
1OFI0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.7
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE
A2GG80.7
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.9
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
A,B,C,D2C4J0.71
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione
A,B,C3DV50.7