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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02347268

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NID4-NITRO-INDEN-1-ONEA,B1DOH0.7
HABA,B1SRE0.73
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.77
FBCA,B2B9A0.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.82
MTBA,B1SRF0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.78
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.78
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.78
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.7
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
26CA,B2F7I0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.82
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.72
DMBA,B1SRI0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.76
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.84
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.71
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.85
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.72
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.72
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.77
TNSA,B,L2G2R0.72
MHBA,B1SRG0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.75
GAB3-AMINOBENZOIC ACIDA,B3GSB0.75
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.75
GAB3-AMINOBENZOIC ACIDA3FHB0.75
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.75
BE22-AMINOBENZOIC ACIDE,I1ZFP0.75
BE22-AMINOBENZOIC ACIDA,B2HU80.75
BE22-AMINOBENZOIC ACIDA,B1AN90.75
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.75
BE22-AMINOBENZOIC ACIDA,B2YR60.75
BE22-AMINOBENZOIC ACIDA,I1E8N0.75
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.75
BE22-AMINOBENZOIC ACIDA1C0I0.75
BE22-AMINOBENZOIC ACIDA,B2JB30.75
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.75