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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02676532

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.77
NID4-NITRO-INDEN-1-ONEA,B1DOH0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.7
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.73
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.73
HABA,B1SRE0.74
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.73
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.76
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.77
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.87
GAB3-AMINOBENZOIC ACIDA,B3GSB0.87
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.87
GAB3-AMINOBENZOIC ACIDA3FHB0.87
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
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.79
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.73
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.73
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.82
BE22-AMINOBENZOIC ACIDE,I1ZFP0.82
BE22-AMINOBENZOIC ACIDA,B2HU80.82
BE22-AMINOBENZOIC ACIDA,B1AN90.82
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.82
BE22-AMINOBENZOIC ACIDA,B2YR60.82
BE22-AMINOBENZOIC ACIDA,I1E8N0.82
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.82
BE22-AMINOBENZOIC ACIDA1C0I0.82
BE22-AMINOBENZOIC ACIDA,B2JB30.82
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.82
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
MTBA,B1SRF0.73
DMBA,B1SRI0.74
SX12-amino-5-bromobenzoic acidA,B3CIZ0.76
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.7
PAB4-AMINOBENZOIC ACIDA1PBD0.81
PAB4-AMINOBENZOIC ACIDB2DZA0.81
PAB4-AMINOBENZOIC ACIDA1IUS0.81
PAB4-AMINOBENZOIC ACIDA1IUU0.81
PAB4-AMINOBENZOIC ACIDA1IUT0.81
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.74
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.82
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.73
3AB3-aminobenzamideA,B,C,D3GOY0.75
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.77
SOAISATOIC ANHYDRIDEA1BIO0.71
TY23-AMINO-L-TYROSINEA,B2VH30.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE
A1RT70.71
3MB3-METHOXYBENZAMIDEA3PAX0.72
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.83
MHBA,B1SRG0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.78
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.75
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.74
NABA,B1SRJ0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.75
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.78
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.74
IBRA9EST0.84
KYNKYNURENINEA,B,C,D2R2N0.74
KYNKYNURENINEA,B3E2Z0.74
KYNKYNURENINEA1XT70.74
KYNKYNURENINEA1T5M0.74
KYNKYNURENINEA1T5N0.74
KYNKYNURENINEA2VOV0.74
KYNKYNURENINEA2VOX0.74
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
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.71