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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03137010

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
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.78
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.85
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.85
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.85
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.7
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
NCR2-NITRO-P-CRESOLA,B1AHV0.71
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.72
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.7
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.74
HFTHYDROXYFLUTAMIDEA2AX60.75
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.76
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.8
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.8
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.8
SOAISATOIC ANHYDRIDEA1BIO0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.7
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.75
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.8
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.95
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.72
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
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.78
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.82
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.74
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
H2DQT0.72
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
H2DQU0.72
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,D1CT80.75
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.81
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.9
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71