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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008486

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.76
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
NABA,B1SRJ0.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.81
MTBA,B1SRF0.73
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
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.85
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.8
HABA,B1SRE0.77
MHBA,B1SRG0.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.81
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.81
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.81
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.8
GAB3-AMINOBENZOIC ACIDA,B3GSB0.8
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.8
GAB3-AMINOBENZOIC ACIDA3FHB0.8
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
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
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.87
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.87
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.87
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.73
KYNKYNURENINEA,B,C,D2R2N0.72
KYNKYNURENINEA,B3E2Z0.72
KYNKYNURENINEA1XT70.72
KYNKYNURENINEA1T5M0.72
KYNKYNURENINEA1T5N0.72
KYNKYNURENINEA2VOV0.72
KYNKYNURENINEA2VOX0.72
DMBA,B1SRI0.76
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.74
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
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.74
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.76
4NB4-NITROBENZOIC ACIDA,B3CHT0.86
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.71
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.74
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.8
PAB4-AMINOBENZOIC ACIDA1PBD0.77
PAB4-AMINOBENZOIC ACIDB2DZA0.77
PAB4-AMINOBENZOIC ACIDA1IUS0.77
PAB4-AMINOBENZOIC ACIDA1IUU0.77
PAB4-AMINOBENZOIC ACIDA1IUT0.77