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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00801239

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
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.73
BIA1-(3,4,DIHYDROXY-5-NITROPHENYL)-
3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-
1-YL}PROPAN-1-ONE
A1H1D0.79
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.77
NIYMETA-NITRO-TYROSINEA2ADP0.75
NIYMETA-NITRO-TYROSINEA3DIV0.75
NIYMETA-NITRO-TYROSINEA2H5U0.75
NIYMETA-NITRO-TYROSINEA1K4Q0.75
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.75
MTBA,B1SRF0.73
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
DMBA,B1SRI0.73
NABA,B1SRJ0.73
HABA,B1SRE0.77
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.8
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.72
4NC4-NITROCATECHOLA1NO30.71
4NC4-NITROCATECHOLB2BUU0.71
4NC4-NITROCATECHOLB2BUZ0.71
4NC4-NITROCATECHOLB1EOC0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.74
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.71
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.71
MHBA,B1SRG0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.88
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.7
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.73
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.75
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.71
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.71