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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00603487

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SHASALICYLHYDROXAMIC ACIDX1V0H0.74
SHASALICYLHYDROXAMIC ACIDA2QPK0.74
SHASALICYLHYDROXAMIC ACIDA3FNL0.74
SHASALICYLHYDROXAMIC ACIDA3GCJ0.74
SHASALICYLHYDROXAMIC ACIDA1CK60.74
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.76
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.82
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.71
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.78
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.7
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.93
4BB4-tert-butyl-N'-[(1E)-(3,5-dibromo-
2,4-dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP30.71
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.73
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
142CARBIDOPAA,B1JS30.71
TYCL-TYROSINAMIDEA2BF90.72
TYCL-TYROSINAMIDEA2OCI0.72
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.75
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.71
2BCN'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-
2-carbohydrazide
A,B,C,D,E,F3DP00.71
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.71