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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02280183

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.75
4NL4-AMINOPHENOLA2ORL0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.77
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
4NC4-NITROCATECHOLA1NO30.77
4NC4-NITROCATECHOLB2BUU0.77
4NC4-NITROCATECHOLB2BUZ0.77
4NC4-NITROCATECHOLB1EOC0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.74
NABA,B1SRJ0.7
TY23-AMINO-L-TYROSINEA,B2VH30.72
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.7
NIYMETA-NITRO-TYROSINEA2ADP0.77
NIYMETA-NITRO-TYROSINEA3DIV0.77
NIYMETA-NITRO-TYROSINEA2H5U0.77
NIYMETA-NITRO-TYROSINEA1K4Q0.77
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.77
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
AZY3-AZIDO-L-TYROSINEA2YXN0.71
MTBA,B1SRF0.74
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.83
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.77
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.77
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.77
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.73
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.79
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.74
NPOP-NITROPHENOLA,B1Z440.83
NPOP-NITROPHENOLX2ZYW0.83
NPOP-NITROPHENOLH,L1YEK0.83
NPOP-NITROPHENOLA,C,E,G43CA0.83
NPOP-NITROPHENOLA1LS60.83
NPOP-NITROPHENOLX2ZVP0.83
NPOP-NITROPHENOLA,B2I100.83
NPOP-NITROPHENOLA1VAH0.83
NPOP-NITROPHENOLA,B3ETT0.83
NPOP-NITROPHENOLA,B2D200.83
NPOP-NITROPHENOLX2ZYV0.83
DMBA,B1SRI0.76
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.78
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.78
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.79
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
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
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.75
HABA,B1SRE0.76
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
4NS4-nitrophenyl sulfateX2ZYU0.78
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.74
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
SHASALICYLHYDROXAMIC ACIDX1V0H0.71
SHASALICYLHYDROXAMIC ACIDA2QPK0.71
SHASALICYLHYDROXAMIC ACIDA3FNL0.71
SHASALICYLHYDROXAMIC ACIDA3GCJ0.71
SHASALICYLHYDROXAMIC ACIDA1CK60.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75
2AC2-AMINO-P-CRESOLH,I1A2C0.77
2AC2-AMINO-P-CRESOLA1L4M0.77
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.72
MHBA,B1SRG0.78
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.77
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.77
4NP4-NITROPHENYL PHOSPHATEA2I6P0.77
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.85
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7