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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03749158

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.75
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
CBLCHLORAMBUCILA,B3CSJ0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.86
C47METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-
9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-
9-OXO-NONANOYL]-3,4-DIHYDRO-2H-
QUINOLINE-3-CARBOXYLATE
C,O2V160.71
IBRA9EST0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.74
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one
A2QFO0.73
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.71
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.78
FEXA1OSH0.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.79
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.71
AAHH1KEL0.7
AAHB,H1FL60.7
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.83
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.9
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.9
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.9
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.9
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.77
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.72
TNSA,B,L2G2R0.74
TSNTRICHOSTATIN AA,B1T640.7
TSNTRICHOSTATIN AA,B1C3R0.7
TSNTRICHOSTATIN AA,B,C3F0R0.7
TSNTRICHOSTATIN AA,B,C3C100.7