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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01333160

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
DMBA,B1SRI0.77
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.71
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.75
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.71
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.71
NCR2-NITRO-P-CRESOLA,B1AHV0.71
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.73
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.83
MHBA,B1SRG0.79
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.7
ANN4-METHOXYBENZOIC ACIDA2B960.72
ANN4-METHOXYBENZOIC ACIDA2QUE0.72
ANN4-METHOXYBENZOIC ACIDA1SV30.72
ANN4-METHOXYBENZOIC ACIDA1O2E0.72
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.72
MTBA,B1SRF0.75
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.75
NABA,B1SRJ0.73
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.72
MOBA,B1SRH0.75
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.78
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.75
TY23-AMINO-L-TYROSINEA,B2VH30.71
A055-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACIDA2Q950.73
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.77
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.72
GAB3-AMINOBENZOIC ACIDA,B3GSB0.72
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.72
GAB3-AMINOBENZOIC ACIDA3FHB0.72
6CAA2FLM0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.79
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.76
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.74
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.78
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE
D,E,F,G,H1LLR0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
44CA2FBR0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
AZY3-AZIDO-L-TYROSINEA2YXN0.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.72
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
NIYMETA-NITRO-TYROSINEA2ADP0.76
NIYMETA-NITRO-TYROSINEA3DIV0.76
NIYMETA-NITRO-TYROSINEA2H5U0.76
NIYMETA-NITRO-TYROSINEA1K4Q0.76
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.76
HABA,B1SRE0.79
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71