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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019241

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.75
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.75
MOBA,B1SRH0.72
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE
D,E,F,G,H1LLR0.71
HABA,B1SRE0.74
MTBA,B1SRF0.72
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.74
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.74
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.71
A055-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACIDA2Q950.71
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.72
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.76
DMBA,B1SRI0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.84
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.73
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.78
TY23-AMINO-L-TYROSINEA,B2VH30.74
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.73
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.73
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.72
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.77
NIYMETA-NITRO-TYROSINEA2ADP0.8
NIYMETA-NITRO-TYROSINEA3DIV0.8
NIYMETA-NITRO-TYROSINEA2H5U0.8
NIYMETA-NITRO-TYROSINEA1K4Q0.8
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.8
NCR2-NITRO-P-CRESOLA,B1AHV0.78
AZY3-AZIDO-L-TYROSINEA2YXN0.73
MHBA,B1SRG0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.71
DNF2,4-DINITROPHENOLA,B2B160.7
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.7
DNF2,4-DINITROPHENOLA1GVO0.7
DNF2,4-DINITROPHENOLA,B2B150.7
DNF2,4-DINITROPHENOLA,B2B140.7
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.71