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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00547457

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER
A1ZSK0.7
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.75
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
YOK[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-
)-N,N',O,O']-IRON
A,B1WZD0.7
HABA,B1SRE0.78
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.77
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.77
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.77
MHBA,B1SRG0.76
TY23-AMINO-L-TYROSINEA,B2VH30.74
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.76
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.71
MTBA,B1SRF0.76
NABA,B1SRJ0.76
DMBA,B1SRI0.76
AZY3-AZIDO-L-TYROSINEA2YXN0.73
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.78
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.78
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.72
TIL[2-[5-CARBOXYETHYL-2-PHENOLATO(NITRILOMETHYLIDYNE)][PHENOLATO]]CHROMIUM(III)A,B2Z680.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
YOL[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-
)-N,N',O,O']-IRON
A,B1WZF0.72
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.7
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.76
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.74