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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004833

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
HABA,B1SRE0.75
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.81
BE22-AMINOBENZOIC ACIDE,I1ZFP0.81
BE22-AMINOBENZOIC ACIDA,B2HU80.81
BE22-AMINOBENZOIC ACIDA,B1AN90.81
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.81
BE22-AMINOBENZOIC ACIDA,B2YR60.81
BE22-AMINOBENZOIC ACIDA,I1E8N0.81
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.81
BE22-AMINOBENZOIC ACIDA1C0I0.81
BE22-AMINOBENZOIC ACIDA,B2JB30.81
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.81
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MTBA,B1SRF0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.83
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.74
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.84
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.84
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.84
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.7
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.7
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
DMBA,B1SRI0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.79
SX12-amino-5-bromobenzoic acidA,B3CIZ0.75
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.77
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.7
MHBA,B1SRG0.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7