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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00615452

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.77
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
4NC4-NITROCATECHOLA1NO30.73
4NC4-NITROCATECHOLB2BUU0.73
4NC4-NITROCATECHOLB2BUZ0.73
4NC4-NITROCATECHOLB1EOC0.73
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.7
NCR2-NITRO-P-CRESOLA,B1AHV0.82
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.77
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.72
NPOP-NITROPHENOLA,B1Z440.8
NPOP-NITROPHENOLX2ZYW0.8
NPOP-NITROPHENOLH,L1YEK0.8
NPOP-NITROPHENOLA,C,E,G43CA0.8
NPOP-NITROPHENOLA1LS60.8
NPOP-NITROPHENOLX2ZVP0.8
NPOP-NITROPHENOLA,B2I100.8
NPOP-NITROPHENOLA1VAH0.8
NPOP-NITROPHENOLA,B3ETT0.8
NPOP-NITROPHENOLA,B2D200.8
NPOP-NITROPHENOLX2ZYV0.8
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.75
4NS4-nitrophenyl sulfateX2ZYU0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.7
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.77
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.77
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.7
2AC2-AMINO-P-CRESOLH,I1A2C0.74
2AC2-AMINO-P-CRESOLA1L4M0.74
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.7
DNF2,4-DINITROPHENOLA,B2B160.75
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.75
DNF2,4-DINITROPHENOLA1GVO0.75
DNF2,4-DINITROPHENOLA,B2B150.75
DNF2,4-DINITROPHENOLA,B2B140.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
HABA,B1SRE0.71
TNFPICRIC ACIDA1GVS0.73
TNFPICRIC ACIDX1VYP0.73
TNFPICRIC ACIDA1VYR0.73
TNFPICRIC ACIDX1VYS0.73
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75
4NL4-AMINOPHENOLA2ORL0.71
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.72
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.72
4NP4-NITROPHENYL PHOSPHATEA2I6P0.72