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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255563

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
DMBA,B1SRI0.77
BIA1-(3,4,DIHYDROXY-5-NITROPHENYL)-
3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-
1-YL}PROPAN-1-ONE
A1H1D0.79
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.72
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.74
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.74
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.85
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.76
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.78
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.86
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
HABA,B1SRE0.78
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.75
NABA,B1SRJ0.73
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.8
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.78
NCR2-NITRO-P-CRESOLA,B1AHV0.8
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.73
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.73
2724-(6-HYDROXY-BENZO[D]ISOXAZOL-3-
YL)BENZENE-1,3-DIOL
A,B,C,D1U3Q0.7
TY23-AMINO-L-TYROSINEA,B2VH30.76
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.76
MTBA,B1SRF0.76
NIYMETA-NITRO-TYROSINEA2ADP0.83
NIYMETA-NITRO-TYROSINEA3DIV0.83
NIYMETA-NITRO-TYROSINEA2H5U0.83
NIYMETA-NITRO-TYROSINEA1K4Q0.83
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.83
4NB4-NITROBENZOIC ACIDA,B3CHT0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.78
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.72
AZY3-AZIDO-L-TYROSINEA2YXN0.75
DNF2,4-DINITROPHENOLA,B2B160.73
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.73
DNF2,4-DINITROPHENOLA1GVO0.73
DNF2,4-DINITROPHENOLA,B2B150.73
DNF2,4-DINITROPHENOLA,B2B140.73
TNFPICRIC ACIDA1GVS0.7
TNFPICRIC ACIDX1VYP0.7
TNFPICRIC ACIDA1VYR0.7
TNFPICRIC ACIDX1VYS0.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.74
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.74
MHBA,B1SRG0.77
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.7
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.73
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.75