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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00068831

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.8
HABA,B1SRE0.73
142CARBIDOPAA,B1JS30.73
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
3MB3-METHOXYBENZAMIDEA3PAX0.79
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MTBA,B1SRF0.72
4BE4-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP20.71
SHASALICYLHYDROXAMIC ACIDX1V0H0.77
SHASALICYLHYDROXAMIC ACIDA2QPK0.77
SHASALICYLHYDROXAMIC ACIDA3FNL0.77
SHASALICYLHYDROXAMIC ACIDA3GCJ0.77
SHASALICYLHYDROXAMIC ACIDA1CK60.77
MTYMETA-TYROSINEA2TOH0.7
MTYMETA-TYROSINEA,B1BIQ0.7
MTYMETA-TYROSINEA1Q7O0.7
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.7
3BE3-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DOZ0.71
4BB4-tert-butyl-N'-[(1E)-(3,5-dibromo-
2,4-dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP30.71
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
MHBA,B1SRG0.73
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
DMBA,B1SRI0.71
NABA,B1SRJ0.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.87
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.73
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.73
3XH3-Hydroxyhippuric acidA3E9K0.76
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.73
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.77
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.79
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.71