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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02757787

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE		A1TKX0.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.74
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE		A1YXV0.75
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.73
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.72
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.75
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.7
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
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.71
86A(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-
HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID		A,B,C2PJ30.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.79
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.7
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL		A,B,C,D2MAS0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A1Q7A0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A,B2BXB0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A2BXO0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.74
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.82
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID		A2P360.71
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE		A1TL30.74
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL		A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL		A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL		A2ZHN0.7
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.73
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.77
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.72
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE		A1TKT0.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.79
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.74
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.75
CLMCHLORAMPHENICOLA1K010.72
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1NJI0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.72
CLMCHLORAMPHENICOLA2XAT0.72
CLMCHLORAMPHENICOLA4CLA0.72
CLMCHLORAMPHENICOLA1CLA0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.72
CLMCHLORAMPHENICOLA,B2UXP0.72
CLMCHLORAMPHENICOLA1QHS0.72
CLMCHLORAMPHENICOLA1QHY0.72
CLMCHLORAMPHENICOLA3CLA0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION		L25C80.74
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.77
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.71
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.73
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.72
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.72
AY1ANTIMYCIN A1C,D,E1NTK0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.75
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.71
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VIE0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE		A1AMN0.79
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE		A,B2H9Y0.79
BC6(4E,8S,9R,10E,12S,13R,14S,16R)-
13,20-dihydroxy-14-methoxy-4,8,10,12,16-
pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-
1(22),4,10,18,20-pentaen-9-yl carbamate		A,B,C,D2VW50.76
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.77
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.7
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.7
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.74
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE		L35C80.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.73
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE		A2F380.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,		A1WAX0.7
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.78
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.72
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL		A,B,C,D1PQ90.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.79
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE		A1TV50.79
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE		A1D3H0.79
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.77
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.74
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.72
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
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		P1JCM0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBM0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBL0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBF0.72
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.76
SOAISATOIC ANHYDRIDEA1BIO0.78