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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02261178

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.71
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.83
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.83
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
CLMCHLORAMPHENICOLA1K010.77
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.77
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.77
CLMCHLORAMPHENICOLA2XAT0.77
CLMCHLORAMPHENICOLA4CLA0.77
CLMCHLORAMPHENICOLA1CLA0.77
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.77
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.77
CLMCHLORAMPHENICOLA,B2UXP0.77
CLMCHLORAMPHENICOLA1QHS0.77
CLMCHLORAMPHENICOLA1QHY0.77
CLMCHLORAMPHENICOLA3CLA0.77
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.77
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.77
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.77
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.85
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.7
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.73
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.77
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.77
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.77
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.82
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.82
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.82
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.77
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
SOAISATOIC ANHYDRIDEA1BIO0.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.83
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75