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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02175035

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.73
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.72
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.73
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.7
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
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.78
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.78
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.82
CBLCHLORAMBUCILA,B3CSJ0.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.76
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.77
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.71
BE22-AMINOBENZOIC ACIDE,I1ZFP0.71
BE22-AMINOBENZOIC ACIDA,B2HU80.71
BE22-AMINOBENZOIC ACIDA,B1AN90.71
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.71
BE22-AMINOBENZOIC ACIDA,B2YR60.71
BE22-AMINOBENZOIC ACIDA,I1E8N0.71
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.71
BE22-AMINOBENZOIC ACIDA1C0I0.71
BE22-AMINOBENZOIC ACIDA,B2JB30.71
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.71
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.72
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.75
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
34A3,4-DIMETHYLANILINEA1L4K0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.7
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.71
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.71
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one
A2QFO0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.72
HFTHYDROXYFLUTAMIDEA2AX60.73
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.75
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.81
PRY2-PROPYL-ANILINEA1OWY0.71
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.73
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.72
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.79
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.79
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.75
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.72
GAB3-AMINOBENZOIC ACIDA,B3GSB0.72
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.72
GAB3-AMINOBENZOIC ACIDA3FHB0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.85
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.83
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.83
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.83
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
TSNTRICHOSTATIN AA,B1T640.73
TSNTRICHOSTATIN AA,B1C3R0.73
TSNTRICHOSTATIN AA,B,C3F0R0.73
TSNTRICHOSTATIN AA,B,C3C100.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.81
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.81
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.81
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.81
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.78
3AB3-aminobenzamideA,B,C,D3GOY0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.79
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
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
S2DN-BENZOYL-D-ALANINEA,B2JCI0.72
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.74
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.76
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.76
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.73
GBS4-GUANIDINOBENZOIC ACIDX2AH40.73
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.73
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.73
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.76
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.78
PAB4-AMINOBENZOIC ACIDA1PBD0.72
PAB4-AMINOBENZOIC ACIDB2DZA0.72
PAB4-AMINOBENZOIC ACIDA1IUS0.72
PAB4-AMINOBENZOIC ACIDA1IUU0.72
PAB4-AMINOBENZOIC ACIDA1IUT0.72
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.74