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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02426281

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.72
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.72
MOBA,B1SRH0.77
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.74
HABA,B1SRE0.74
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.7
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.7
F792-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-
FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
A2EA40.74
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.75
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.73
2345-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-
3-CARBOXYLIC ACID
A1Q1M0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.75
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.76
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.75
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.75
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.75
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.75
DMBA,B1SRI0.73
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.72
MHBA,B1SRG0.74
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.72
A055-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACIDA2Q950.75
MTBA,B1SRF0.71
TYNAMINOBENZOFURAZAN-O-TYROSINEA,B,C,D,E,F1NBM0.71
IX15-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-
4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
A1XBO0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.73
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.71
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.71
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.79
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.81
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.81
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.81
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID
A1DVY0.72
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE
D,E,F,G,H1LLR0.75
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.75
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.72
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71