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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02383002

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.8
DMBA,B1SRI0.77
NABA,B1SRJ0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.79
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.75
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.74
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.74
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.77
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.83
GAB3-AMINOBENZOIC ACIDA,B3GSB0.83
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.83
GAB3-AMINOBENZOIC ACIDA3FHB0.83
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.74
HABA,B1SRE0.78
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
MTBA,B1SRF0.74
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.7
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.7
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.7
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.7
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.87
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.87
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.87
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
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.77
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.71
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.73
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.84
BE22-AMINOBENZOIC ACIDE,I1ZFP0.84
BE22-AMINOBENZOIC ACIDA,B2HU80.84
BE22-AMINOBENZOIC ACIDA,B1AN90.84
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.84
BE22-AMINOBENZOIC ACIDA,B2YR60.84
BE22-AMINOBENZOIC ACIDA,I1E8N0.84
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.84
BE22-AMINOBENZOIC ACIDA1C0I0.84
BE22-AMINOBENZOIC ACIDA,B2JB30.84
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.84
SX12-amino-5-bromobenzoic acidA,B3CIZ0.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.86
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.72
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.73
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
MHBA,B1SRG0.78
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.74
PAB4-AMINOBENZOIC ACIDA1PBD0.77
PAB4-AMINOBENZOIC ACIDB2DZA0.77
PAB4-AMINOBENZOIC ACIDA1IUS0.77
PAB4-AMINOBENZOIC ACIDA1IUU0.77
PAB4-AMINOBENZOIC ACIDA1IUT0.77
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.73