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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00710701

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.75
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.78
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.71
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.71
NCR2-NITRO-P-CRESOLA,B1AHV0.81
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.8
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
4NC4-NITROCATECHOLA1NO30.74
4NC4-NITROCATECHOLB2BUU0.74
4NC4-NITROCATECHOLB2BUZ0.74
4NC4-NITROCATECHOLB1EOC0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.72
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.78
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
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
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.71
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.73
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.73
4NP4-NITROPHENYL PHOSPHATEA2I6P0.73
4NS4-nitrophenyl sulfateX2ZYU0.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.72
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.73
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.75
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.71
DNF2,4-DINITROPHENOLA,B2B160.77
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.77
DNF2,4-DINITROPHENOLA1GVO0.77
DNF2,4-DINITROPHENOLA,B2B150.77
DNF2,4-DINITROPHENOLA,B2B140.77
EDREDROPHONIUM IONA1AX90.76
EDREDROPHONIUM IONA2ACK0.76
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.78
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.7
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.71
4NL4-AMINOPHENOLA2ORL0.71
TNFPICRIC ACIDA1GVS0.75
TNFPICRIC ACIDX1VYP0.75
TNFPICRIC ACIDA1VYR0.75
TNFPICRIC ACIDX1VYS0.75