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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03539089

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.7
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.86
4NC4-NITROCATECHOLA1NO30.7
4NC4-NITROCATECHOLB2BUU0.7
4NC4-NITROCATECHOLB2BUZ0.7
4NC4-NITROCATECHOLB1EOC0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.7
4NS4-nitrophenyl sulfateX2ZYU0.79
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.92
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
NPOP-NITROPHENOLA,B1Z440.72
NPOP-NITROPHENOLX2ZYW0.72
NPOP-NITROPHENOLH,L1YEK0.72
NPOP-NITROPHENOLA,C,E,G43CA0.72
NPOP-NITROPHENOLA1LS60.72
NPOP-NITROPHENOLX2ZVP0.72
NPOP-NITROPHENOLA,B2I100.72
NPOP-NITROPHENOLA1VAH0.72
NPOP-NITROPHENOLA,B3ETT0.72
NPOP-NITROPHENOLA,B2D200.72
NPOP-NITROPHENOLX2ZYV0.72
SOAISATOIC ANHYDRIDEA1BIO0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.78
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.83
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.83
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.83
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.72
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.78
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.86
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.77
NCR2-NITRO-P-CRESOLA,B1AHV0.75
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.72
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.72
4NP4-NITROPHENYL PHOSPHATEA2I6P0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76