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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02319143

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBRA9EST0.81
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.76
3AB3-aminobenzamideA,B,C,D3GOY0.72
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.75
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.76
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.79
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.77
MTBA,B1SRF0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.74
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.74
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.74
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.73
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.76
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.73
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.7
DMBA,B1SRI0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.8
BE22-AMINOBENZOIC ACIDE,I1ZFP0.8
BE22-AMINOBENZOIC ACIDA,B2HU80.8
BE22-AMINOBENZOIC ACIDA,B1AN90.8
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.8
BE22-AMINOBENZOIC ACIDA,B2YR60.8
BE22-AMINOBENZOIC ACIDA,I1E8N0.8
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.8
BE22-AMINOBENZOIC ACIDA1C0I0.8
BE22-AMINOBENZOIC ACIDA,B2JB30.8
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.8
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.7
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.7
GBS4-GUANIDINOBENZOIC ACIDX2AH40.7
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.7
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.7
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.73
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.8
KYNKYNURENINEA,B,C,D2R2N0.72
KYNKYNURENINEA,B3E2Z0.72
KYNKYNURENINEA1XT70.72
KYNKYNURENINEA1T5M0.72
KYNKYNURENINEA1T5N0.72
KYNKYNURENINEA2VOV0.72
KYNKYNURENINEA2VOX0.72
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
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.74
MHBA,B1SRG0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.78
PAB4-AMINOBENZOIC ACIDB2DZA0.78
PAB4-AMINOBENZOIC ACIDA1IUS0.78
PAB4-AMINOBENZOIC ACIDA1IUU0.78
PAB4-AMINOBENZOIC ACIDA1IUT0.78
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.84
GAB3-AMINOBENZOIC ACIDA,B3GSB0.84
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.84
GAB3-AMINOBENZOIC ACIDA3FHB0.84
HABA,B1SRE0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate
A,B,C,D3DEI0.71
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate
A3C7Q0.71
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73