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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03241133

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RBE3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID
H1RIU0.71
DMBA,B1SRI0.72
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
HABA,B1SRE0.73
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.76
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.75
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.74
MTBA,B1SRF0.7
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A4LBD0.73
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXX0.73
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.81
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.73
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.75
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate
A,B,C,D3DEI0.73
IBRA9EST0.79
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.77
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.74
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.77
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.77
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE
A1RT70.71
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.77
BE22-AMINOBENZOIC ACIDE,I1ZFP0.77
BE22-AMINOBENZOIC ACIDA,B2HU80.77
BE22-AMINOBENZOIC ACIDA,B1AN90.77
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.77
BE22-AMINOBENZOIC ACIDA,B2YR60.77
BE22-AMINOBENZOIC ACIDA,I1E8N0.77
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.77
BE22-AMINOBENZOIC ACIDA1C0I0.77
BE22-AMINOBENZOIC ACIDA,B2JB30.77
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.77
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXA0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.82
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
MHBA,B1SRG0.73
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.72
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.78
GAB3-AMINOBENZOIC ACIDA,B3GSB0.78
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.78
GAB3-AMINOBENZOIC ACIDA3FHB0.78
PAB4-AMINOBENZOIC ACIDA1PBD0.84
PAB4-AMINOBENZOIC ACIDB2DZA0.84
PAB4-AMINOBENZOIC ACIDA1IUS0.84
PAB4-AMINOBENZOIC ACIDA1IUU0.84
PAB4-AMINOBENZOIC ACIDA1IUT0.84
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
GBS4-GUANIDINOBENZOIC ACIDX2AH40.75
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.75
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.75
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.75
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.75
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.74
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.75
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.79
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.78
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.76
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.72